Geometry & MOs

Info

ID:	302334
PubChem CID:	124361270
Reduced:	NO7C25H27 (1)
Stoich.:	AB7C25D27 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-233.67
Dipole, Da:	5.44
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11bR,12S)-12-methyl-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinoline-1,13-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N[C@@H](CC(C)C)C(=O)OC)OC3=CC=CC=C3

DOS

IR

Vibrations