Geometry & MOs

Info

ID:	399152
PubChem CID:	135038308
Reduced:	INOC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	20.78
Dipole, Da:	5.78
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,9aR,9bR)-9b-hydroxy-2,3,3a,4,7,9a-hexahydro-1H-cyclopenta[c]quinolin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC12C=CC=CN1C(=C(C2=O)I)C3=CCCCC3

DOS

IR

Vibrations