Geometry & MOs

Info

ID:	321266
PubChem CID:	126665637
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	573.246393
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	4.77
IP(EA), eV:	-8.53(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(3-imidazol-1-ylpropylamino)-phenylmethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CO)NC(C1=CC=CC=C1)C2=CC(=CC=C2)N

DOS

IR

Vibrations