Geometry & MOs

Info

ID:	30363
PubChem CID:	841196
Reduced:	ClNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	304.117155
ΔH_f, kcal/mol:	-63.14
Dipole, Da:	2.57
IP(EA), eV:	-8.79(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)COC2=CC(=C(C=C2)Cl)C

DOS

IR

Vibrations