Geometry & MOs

Info

ID:	2420
PubChem CID:	7422
Reduced:	NO2C7H7 (1)
Stoich.:	AB2C7D7 (1)
Weight, g/mol:	137.047678
ΔH_f, kcal/mol:	8.52
Dipole, Da:	5.73
IP(EA), eV:	-10.16(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-nitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations