Geometry & MOs

Info

ID:	30337
PubChem CID:	841155
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	249.06689
ΔH_f, kcal/mol:	-23.84
Dipole, Da:	4.17
IP(EA), eV:	-8.64(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-1-ethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)NC(=O)NC2=CC=CC(=C2)C

DOS

IR

Vibrations