Geometry & MOs

Info

ID:	64946
PubChem CID:	29204235
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	396.195011
ΔH_f, kcal/mol:	-20.45
Dipole, Da:	5.24
IP(EA), eV:	-8.79(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C=C/C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations