Geometry & MOs

Info

ID:	327381
PubChem CID:	126689750
Reduced:	F3N4O4C33H33 (1)
Stoich.:	A3B4C4D33E33 (1)
Weight, g/mol:	498.111517
ΔH_f, kcal/mol:	-200.7
Dipole, Da:	5.24
IP(EA), eV:	-8.28(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(2,6-difluorophenyl)-hydroxymethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC(=C(C=C1)OCCCC)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)O

DOS

IR

Vibrations