Geometry & MOs

Info

ID:	37086
PubChem CID:	8016696
Reduced:	ClON3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	359.199762
ΔH_f, kcal/mol:	33.37
Dipole, Da:	5.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.007952
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1'-(3-methylbutyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@]3(C1=O)C4=C(CC[NH2+]3)C5=C(N4)C=CC(=C5)Cl

DOS

IR

Vibrations