Geometry & MOs

Info

ID:	131072
PubChem CID:	51151107
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-12.01
Dipole, Da:	2.25
IP(EA), eV:	-8.9(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(4-methylphenyl)-phenylmethyl]acetamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=C(S3)C)C

DOS

IR

Vibrations