Geometry & MOs

Info

ID:	5645
PubChem CID:	13432
Reduced:	NO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	187.063329
ΔH_f, kcal/mol:	27.19
Dipole, Da:	4.63
IP(EA), eV:	-9.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-nitronaphthalene

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]

DOS

IR

Vibrations