Geometry & MOs

Info

ID:	19995
PubChem CID:	576468
Reduced:	N4O5H20C21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	408.14337
ΔH_f, kcal/mol:	0.02
Dipole, Da:	10.34
IP(EA), eV:	-8.79(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-[4-methoxy-1-methyl-5-[(4-nitrophenyl)diazenyl]-2-phenylpyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=C(C(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])OC)C(=O)COC)C3=CC=CC=C3

DOS

IR

Vibrations