Geometry & MOs

Info

ID:	227168
PubChem CID:	87560416
Reduced:	NO3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	307.040006
ΔH_f, kcal/mol:	-102.41
Dipole, Da:	3.11
IP(EA), eV:	-10.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-nitrochrysene

Drug info:

PubChemData

Smile

C/C=C/C(=O)OCCN=C=O

DOS

IR

Vibrations