Geometry & MOs

Info

ID:	29822
PubChem CID:	837580
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-66.92
Dipole, Da:	2.53
IP(EA), eV:	-8.76(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC2=C(C=C(C=C2)C)C

DOS

IR

Vibrations