Geometry & MOs

Info

ID:	320373
PubChem CID:	126659958
Reduced:	BrO2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-3.6
Dipole, Da:	5.55
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-2-(dimethylamino)-1,6,7-trimethyl-6,7,8,8a-tetrahydro-5H-quinolin-8-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)/C(=C/C2=CC=C(O2)C)/C(=O)C=C

DOS

IR

Vibrations