Geometry & MOs

Info

ID:	20810
PubChem CID:	585839
Reduced:	NO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	165.078979
ΔH_f, kcal/mol:	-0.95
Dipole, Da:	5.77
IP(EA), eV:	-10.18(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-3-propylbenzene

Drug info:

PubChemData

Smile

CCCC1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations