Geometry & MOs

Info

ID:	2086
PubChem CID:	5761
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	3.94
IP(EA), eV:	-8.16(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C

DOS

IR

Vibrations