Geometry & MOs

Info

ID:	26130
PubChem CID:	639105
Reduced:	N3H13C14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	245.080041
ΔH_f, kcal/mol:	88.48
Dipole, Da:	2.68
IP(EA), eV:	-7.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetyl-5-oxo-1H-pyrazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CN1C=C2C=C(C=CC2=N1)NC3=CC=CC=C3

DOS

IR

Vibrations