Geometry & MOs

Info

ID:	282977
PubChem CID:	103950089
Reduced:	OSN2C14H26 (1)
Stoich.:	ABC2D14E26 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-58.69
Dipole, Da:	2.47
IP(EA), eV:	-9.17(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCC(C)(CCO)NCC1=NC(=CS1)C(C)(C)C

DOS

IR

Vibrations