Geometry & MOs

Info

ID:	412801
PubChem CID:	135085730
Reduced:	BrNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-37.34
Dipole, Da:	3.06
IP(EA), eV:	-9.65(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9a-dimethyl-2,3,4,4a,8,9-hexahydrobenzo[7]annulene-1,7-dione

Drug info:

PubChemData

Smile

CCN(CC)OC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations