Geometry & MOs

Info

ID:	147238
PubChem CID:	53786892
Reduced:	O5C25H28 (1)
Stoich.:	A5B25C28 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-183.58
Dipole, Da:	6.47
IP(EA), eV:	-8.71(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR,10bS)-4,7,8,10b-tetramethyl-2,4a,5,6,6a,7,8,9-octahydro-1H-benzo[f]quinolin-3-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=C(C=C1)C=C(C=C2)OCCCCCCC3=CC(=C(C=C3)O)O)C(=O)O

DOS

IR

Vibrations