Geometry & MOs

Info

ID:	31800
PubChem CID:	3718415
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	355.055283
ΔH_f, kcal/mol:	-172.92
Dipole, Da:	6.2
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)C)C)OC1=O)C

DOS

IR

Vibrations