Geometry & MOs

Info

ID:	326762
PubChem CID:	126688151
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	532.183459
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	7.03
IP(EA), eV:	-8.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[5-[2-(aminomethyl)cyclopropyl]pyridin-3-yl]-hydroxymethyl]phenyl]-2-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)NC(=O)C(C)(C)C)C(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations