Geometry & MOs

Info

ID:	164935
PubChem CID:	74474539
Reduced:	O2N3C14H18 (2)
Stoich.:	A2B3C14D18 (2)
Weight, g/mol:	506.37331
ΔH_f, kcal/mol:	-62.79
Dipole, Da:	7.87
IP(EA), eV:	-9.34(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(1-cyclohexyltetrazol-5-yl)propyl-[2-(2-methylphenyl)ethyl]amino]methyl]-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCC(C1=NN=NN1CC2=CC=CO2)N(CC3CC4CC5C(CC4NC3=O)OCO5)CC6=CC=C(C=C6)C

DOS

IR

Vibrations