Geometry & MOs

Info

ID:	427708
PubChem CID:	135161553
Reduced:	OF3N3C15H20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	512.16714
ΔH_f, kcal/mol:	-187.77
Dipole, Da:	8.78
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,1aS,6bS)-5-[(3-methyl-7-oxo-4,5,6,8-tetrahydro-3H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[2-(trifluoromethyl)phenyl]urea

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

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C)C(F)(F)F

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

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):