Geometry & MOs

Info

ID:	321409
PubChem CID:	126665967
Reduced:	FOSN3C21H28 (1)
Stoich.:	ABCD3E21F28 (1)
Weight, g/mol:	467.156909
ΔH_f, kcal/mol:	-24.12
Dipole, Da:	3.17
IP(EA), eV:	-8.29(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[hydroxy(pyridin-3-yl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)NC(CCC1CC1)(C2=CC=NC=C2)C3=CC(=C(C=C3)F)N

DOS

IR

Vibrations