Geometry & MOs

Info

ID:	187040
PubChem CID:	77523431
Reduced:	NO4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	246.194343
ΔH_f, kcal/mol:	-216.41
Dipole, Da:	2.41
IP(EA), eV:	-9.16(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylpiperidine-3,4,5-triol;piperidine

Drug info:

PubChemData

Smile

CC1=C(C2C(C1)CC2(CC(=O)O)CNC(=O)OC(C)(C)C)C

DOS

IR

Vibrations