Geometry & MOs

Info

ID:	56114
PubChem CID:	17404564
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	320.127326
ΔH_f, kcal/mol:	11.62
Dipole, Da:	4.6
IP(EA), eV:	-9.18(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)NCC2=CC=CC=C2CN3C=CC=N3

DOS

IR

Vibrations