Geometry & MOs

Info

ID:	159019
PubChem CID:	57244555
Reduced:	NC14H19 (1)
Stoich.:	AB14C19 (1)
Weight, g/mol:	415.254271
ΔH_f, kcal/mol:	9.41
Dipole, Da:	1.66
IP(EA), eV:	-8.68(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione

Drug info:

PubChemData

Smile

CN1CC2CCC(C2C1)C3=CC=CC=C3

DOS

IR

Vibrations