Geometry & MOs

Info

ID:	5235
PubChem CID:	12807
Reduced:	NO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	163.063329
ΔH_f, kcal/mol:	22.96
Dipole, Da:	5.08
IP(EA), eV:	-10.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitroprop-1-enylbenzene

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations