Geometry & MOs

Info

ID:	30638
PubChem CID:	841603
Reduced:	SN3O5C15H15 (1)
Stoich.:	AB3C5D15E15 (1)
Weight, g/mol:	322.083268
ΔH_f, kcal/mol:	-84.92
Dipole, Da:	3.57
IP(EA), eV:	-9.39(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations