Geometry & MOs

Info

ID:	373291
PubChem CID:	131312761
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	248.97893
ΔH_f, kcal/mol:	-48.89
Dipole, Da:	9.08
IP(EA), eV:	-9.67(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-6-oxo-7,8-dihydro-5H-naphthalene-2-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations