Geometry & MOs

Info

ID:	397122
PubChem CID:	135029760
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	57.3
Dipole, Da:	4.13
IP(EA), eV:	-8.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-3-[5-ethoxycarbonyl-2-(pyrrolidin-1-yldiazenyl)phenyl]benzoate

Drug info:

PubChemData

Smile

C1CCN(C1)N=NC2=CC=CC=C2C(/C=C/C3=CC=CC=C3)O

DOS

IR

Vibrations