Geometry & MOs

Info

ID:	164895
PubChem CID:	74467577
Reduced:	O3N7C24H32 (1)
Stoich.:	A3B7C24D32 (1)
Weight, g/mol:	486.31071
ΔH_f, kcal/mol:	11.18
Dipole, Da:	10.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.819803
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-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

COC1CCC2CC(C(=O)NC2C1)C[NH+](CC3=CN=CC=C3)CC4=NN=NN4CC5=CC=CO5

DOS

IR

Vibrations