Geometry & MOs

Info

ID:	192036
PubChem CID:	78217373
Reduced:	FOS2N3C24H30 (1)
Stoich.:	ABC2D3E24F30 (1)
Weight, g/mol:	428.32636
ΔH_f, kcal/mol:	-56.9
Dipole, Da:	11.02
IP(EA), eV:	-8.31(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(C2CC(C(=O)NC2C1)CN(CC3=CC=CS3)C(=S)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations