Geometry & MOs

Info

ID:	164897
PubChem CID:	74467806
Reduced:	ON6C30H41 (1)
Stoich.:	AB6C30D41 (1)
Weight, g/mol:	500.32636
ΔH_f, kcal/mol:	52.09
Dipole, Da:	9.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.821530
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethyl-3-[[2-phenylethyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1CCC2CC(C(=O)NC2C1C)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

DOS

IR

Vibrations