Geometry & MOs

Info

ID:	164913
PubChem CID:	74470369
Reduced:	O3N6C26H36 (1)
Stoich.:	A3B6C26D36 (1)
Weight, g/mol:	528.35766
ΔH_f, kcal/mol:	-33.26
Dipole, Da:	9.54
IP(EA), eV:	-8.78(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NN=NN1CC(=O)OCC)N(CC2C=C3C=C(C(=CC3=NC2=O)C)C)C4CCCCC4

DOS

IR

Vibrations