Geometry & MOs

Info

ID:	37076
PubChem CID:	8016555
Reduced:	NO6C22H26 (1)
Stoich.:	AB6C22D26 (1)
Weight, g/mol:	377.190341
ΔH_f, kcal/mol:	-257.25
Dipole, Da:	7.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761272
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1'-(3-methylbutyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=C3CCC(OC3=C2)(C)C)CC(=O)N[C@@H](C(C)C)C(=O)[O-]

DOS

IR

Vibrations