Geometry & MOs

Info

ID:	783
PubChem CID:	3350
Reduced:	N2O2C23H36 (1)
Stoich.:	A2B2C23D36 (1)
Weight, g/mol:	372.277678
ΔH_f, kcal/mol:	-138.15
Dipole, Da:	8.25
IP(EA), eV:	-9.57(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C

DOS

IR

Vibrations