Geometry & MOs

Info

ID:	6816
PubChem CID:	70155
Reduced:	NO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	187.063329
ΔH_f, kcal/mol:	26.45
Dipole, Da:	6.54
IP(EA), eV:	-9.42(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitronaphthalene

Drug info:

PubChemData

Smile

CC1=CC=C(C2=CC=CC=C12)[N+](=O)[O-]

DOS

IR

Vibrations