Geometry & MOs

Info

ID:	394649
PubChem CID:	135023395
Reduced:	O2N3F5H12C18 (1)
Stoich.:	A2B3C5D12E18 (1)
Weight, g/mol:	834.314933
ΔH_f, kcal/mol:	-204.56
Dipole, Da:	4.39
IP(EA), eV:	-9.32(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-2-(2,4,6-trimethylphenyl)-3,3a,4,5-tetrahydro-1H-imidazo[1,5-a]quinolin-1-ide;benzylidene(dichloro)ruthenium;tricyclohexylphosphanium

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@@H]2[C@H](C3=CC=CC=C31)N4C(N(N=C4CO2)C5=C(C(=C(C(=C5F)F)F)F)F)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@@H]2[C@H](C3=CC=CC=C31)N4C(N(N=C4CO2)C5=C(C(=C(C(=C5F)F)F)F)F)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):