Geometry & MOs

Info

ID:	146318
PubChem CID:	53669577
Reduced:	NO2C24H37 (1)
Stoich.:	AB2C24D37 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	-111.92
Dipole, Da:	8.36
IP(EA), eV:	-8.6(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6aR,9S)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanamine

Drug info:

PubChemData

Smile

CC(=CCO[C@H]1C[C@H]2[C@@H]3CN(C4=CC(=O)CC[C@@]4([C@H]3CC[C@@]2(C1)C)C)C)C

DOS

IR

Vibrations