Geometry & MOs

Info

ID:	64926
PubChem CID:	29204208
Reduced:	ON4H22C24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	384.158626
ΔH_f, kcal/mol:	66.37
Dipole, Da:	3.38
IP(EA), eV:	-9.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations