Geometry & MOs

Info

ID:	321395
PubChem CID:	126665950
Reduced:	ON3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	621.23516
ΔH_f, kcal/mol:	47.35
Dipole, Da:	2.96
IP(EA), eV:	-9.0(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[[cyclopropyl(methyl)amino]-(4-phenylmethoxyphenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N3C(=CC=N3)C(=O)N

DOS

IR

Vibrations