Geometry & MOs

Info

ID:	449468
PubChem CID:	135298867
Reduced:	NO2C23H33 (1)
Stoich.:	AB2C23D33 (1)
Weight, g/mol:	373.261694
ΔH_f, kcal/mol:	-96.85
Dipole, Da:	5.46
IP(EA), eV:	-8.83(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-diethyl-5-[2-[4-(1-hydroxy-1-phenylethyl)piperidin-1-yl]ethyl]oxolan-2-one

Drug info:

PubChemData

Smile

CCC1(CC(OC1=O)CCN2CCC(=C(C)C3=CC=CC=C3)CC2)CC

DOS

IR

Vibrations