Geometry & MOs

Info

ID:	157749
PubChem CID:	56436926
Reduced:	N4O4H24C25 (1)
Stoich.:	A4B4C24D25 (1)
Weight, g/mol:	400.138284
ΔH_f, kcal/mol:	-15.2
Dipole, Da:	5.48
IP(EA), eV:	-8.75(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-2-(2-nitroanilino)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N

DOS

IR

Vibrations