Geometry & MOs

Info

ID:	432811
PubChem CID:	135172948
Reduced:	N3O3C28H35 (1)
Stoich.:	A3B3C28D35 (1)
Weight, g/mol:	342.159295
ΔH_f, kcal/mol:	-77.73
Dipole, Da:	4.98
IP(EA), eV:	-8.56(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylimidazol-2-yl)diazenyl]-N-(4-pyrrol-1-ylphenyl)aniline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)N2CCC(CC2)C(CC3C4=CC=CC=C4/C(=C/NC=N3)/C)O)C

DOS

IR

Vibrations