Geometry & MOs

Info

ID:	22081
PubChem CID:	595953
Reduced:	NO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	163.063329
ΔH_f, kcal/mol:	26.09
Dipole, Da:	5.95
IP(EA), eV:	-10.38(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-4-prop-2-enylbenzene

Drug info:

PubChemData

Smile

C=CCC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations