Geometry & MOs

Info

ID:	130425
PubChem CID:	51085175
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	-26.86
Dipole, Da:	8.19
IP(EA), eV:	-8.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethyl-6-oxopyridin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=CC1=O)NC(=O)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations