Geometry & MOs

Info

ID:	302563
PubChem CID:	124385085
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-60.45
Dipole, Da:	2.93
IP(EA), eV:	-8.27(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,10bS)-4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol

Drug info:

PubChemData

Smile

CCCN(CCC)[C@H]1CCC2=C(C1)C=C(C(=C2)C)O

DOS

IR

Vibrations