Geometry & MOs

Info

ID:	48460
PubChem CID:	10584982
Reduced:	BrNO3C6H6 (1)
Stoich.:	ABC3D6E6 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	-73.85
Dipole, Da:	1.76
IP(EA), eV:	-10.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-2,3,4,9-tetrahydrobenzo[10]annulen-10-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)Br)C(=O)OC

DOS

IR

Vibrations