Geometry & MOs

Info

ID:	30446
PubChem CID:	841346
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	347.122969
ΔH_f, kcal/mol:	-97.6
Dipole, Da:	4.1
IP(EA), eV:	-8.68(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methylideneamino]-2,5-dimethyl-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)COC2=CC(=C(C=C2)C)C

DOS

IR

Vibrations