Geometry & MOs

Info

ID:	399235
PubChem CID:	135038978
Reduced:	O5C15H22 (1)
Stoich.:	A5B15C22 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-218.83
Dipole, Da:	1.26
IP(EA), eV:	-9.7(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one

Drug info:

PubChemData

Smile

C[C@](CC(=O)OCC1=CC=CC=C1)(C(C)(OC)OC)O

DOS

IR

Vibrations