Geometry & MOs

Info

ID:	321230
PubChem CID:	126665399
Reduced:	OH9C10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	621.23516
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	3.02
IP(EA), eV:	-8.64(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(C(=C(C=C2)O)O)CC3=CC=CC=C3

DOS

IR

Vibrations