Geometry & MOs

Info

ID:	278769
PubChem CID:	103837907
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	6.05
IP(EA), eV:	-9.12(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetate

Drug info:

PubChemData

Smile

CC1(CC1C(=O)N2CCN(CC2)CC#N)C

DOS

IR

Vibrations