Geometry & MOs

Info

ID:	194812
PubChem CID:	78593155
Reduced:	NO7C22H24 (1)
Stoich.:	AB7C22D24 (1)
Weight, g/mol:	412.06606
ΔH_f, kcal/mol:	-227.56
Dipole, Da:	8.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.905663
Charge, e:	1

Chem-info

IUPAC name:

5'-bromo-6-methoxy-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC(C(=O)[O-])NC(=O)COC1=C2C3=C(CCC3)C(=O)OC2=C4CCC(OC4=C1)(C)C

DOS

IR

Vibrations