Geometry & MOs

Info

ID:	186227
PubChem CID:	77405578
Reduced:	INO2C19H28 (1)
Stoich.:	ABC2D19E28 (1)
Weight, g/mol:	345.230394
ΔH_f, kcal/mol:	-102.01
Dipole, Da:	4.28
IP(EA), eV:	-9.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6',9'a,11'a-trimethylspiro[1,3-dioxolane-2,1'-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinoline]-7'-one

Drug info:

PubChemData

Smile

CC12CCC(CC(=O)N1CCC3C2CCC4(C3CC=C4I)C)O

DOS

IR

Vibrations