Geometry & MOs

Info

ID:	164908
PubChem CID:	74469511
Reduced:	O3N6C28H42 (1)
Stoich.:	A3B6C28D42 (1)
Weight, g/mol:	494.336925
ΔH_f, kcal/mol:	-77.32
Dipole, Da:	6.92
IP(EA), eV:	-9.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NN=NN1C(C)(C)CC)N(CC2CC3CCC(CC3NC2=O)C)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations