Geometry & MOs

Info

ID:	166508
PubChem CID:	74701990
Reduced:	FSO3N4C25H31 (1)
Stoich.:	ABC3D4E25F31 (1)
Weight, g/mol:	521.347824
ΔH_f, kcal/mol:	-69.92
Dipole, Da:	5.58
IP(EA), eV:	-8.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-cyclopentyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCN(CC)CCN(CC1=CC2C=C(C(=CC2=NC1=O)OC)OC)C(=S)NC3=CC=C(C=C3)F

DOS

IR

Vibrations