Geometry & MOs

Info

ID:	321369
PubChem CID:	126665898
Reduced:	ClF2O2N4H15C20 (1)
Stoich.:	AB2C2D4E15F20 (1)
Weight, g/mol:	669.256289
ΔH_f, kcal/mol:	-50.15
Dipole, Da:	3.92
IP(EA), eV:	-8.93(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-[[3-[[[1-(3-phenylmethoxyphenyl)cyclopropyl]methylamino]methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylcarbamic acid

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

CC1=NOC2=C1C(=O)N(N=C2C3=C(C(=CC(=C3)F)F)N)C(C)C4=CC=C(C=C4)Cl

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

CC1=NOC2=C1C(=O)N(N=C2C3=C(C(=CC(=C3)F)F)N)C(C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):