Geometry & MOs

Info

ID:	37068
PubChem CID:	8016493
Reduced:	ON2C23H33 (1)
Stoich.:	AB2C23D33 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-4.58
Dipole, Da:	6.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.016046
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-chloro-N-ethyl-1'-methyl-2'-oxospiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,3'-indole]-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCCC[NH+]2CCCC[C@H]2C3=CN=CC=C3

DOS

IR

Vibrations