Geometry & MOs

Info

ID:	43021
PubChem CID:	10317804
Reduced:	O2N3H21C24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	383.163377
ΔH_f, kcal/mol:	21.67
Dipole, Da:	1.84
IP(EA), eV:	-8.53(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations