Geometry & MOs

Info

ID:	64904
PubChem CID:	29204174
Reduced:	ClON4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	368.163711
ΔH_f, kcal/mol:	10.6
Dipole, Da:	3.23
IP(EA), eV:	-9.15(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)NCC2=CC=CC=N2)Cl)CC(C)C

DOS

IR

Vibrations