Geometry & MOs

Info

ID:	28164
PubChem CID:	825938
Reduced:	BrNO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	230.069142
ΔH_f, kcal/mol:	1.77
Dipole, Da:	6.48
IP(EA), eV:	-10.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-nitronaphthalen-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])Br)C

DOS

IR

Vibrations