Geometry & MOs

Info

ID:	30453
PubChem CID:	841354
Reduced:	ClON5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	322.083268
ΔH_f, kcal/mol:	35.48
Dipole, Da:	4.34
IP(EA), eV:	-7.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=C(C(=NN2C)C)Cl

DOS

IR

Vibrations