Geometry & MOs

Info

ID:	438484
PubChem CID:	135228226
Reduced:	INO3C15H26 (1)
Stoich.:	ABC3D15E26 (1)
Weight, g/mol:	319.199488
ΔH_f, kcal/mol:	-172.09
Dipole, Da:	1.77
IP(EA), eV:	-9.51(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-hydroxyethyl)-4-(1,2,2-trihydroxypropyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CC2(CCN(CC2)C(=O)OC(C)(C)C)CO1)CI

DOS

IR

Vibrations