Geometry & MOs

Info

ID:	12037
PubChem CID:	126570
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	-62.95
Dipole, Da:	7.02
IP(EA), eV:	-9.17(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol;hydrobromide

Drug info:

PubChemData

Smile

CN1CCC[C@@H]2[C@@H]1CCC3=C2C=CC=C3O.Br

DOS

IR

Vibrations