Geometry & MOs

Info

ID:	373374
PubChem CID:	131314363
Reduced:	BrNO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-27.69
Dipole, Da:	2.32
IP(EA), eV:	-10.44(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-amino-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2[N+](=O)[O-])Br)C(=O)C1

DOS

IR

Vibrations