Geometry & MOs

Info

ID:	433014
PubChem CID:	135173151
Reduced:	OSN2C9H16 (1)
Stoich.:	ABC2D9E16 (1)
Weight, g/mol:	539.429822
ΔH_f, kcal/mol:	-3.75
Dipole, Da:	5.42
IP(EA), eV:	-8.91(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-hydroxy-1-methoxy-6-[2-(1-methoxy-2,6,6-trimethylpiperidin-2-yl)ethyl]-2,6-dimethylpiperidin-2-yl]ethyl]-1-methoxy-2,6,6-trimethylpiperidin-4-one

Drug info:

PubChemData

Smile

CC1(CC(CCN1OC)N=C=S)C

DOS

IR

Vibrations