Geometry & MOs

Info

ID:	392164
PubChem CID:	135013464
Reduced:	PN2O6C21H33 (1)
Stoich.:	AB2C6D21E33 (1)
Weight, g/mol:	308.137222
ΔH_f, kcal/mol:	-316.73
Dipole, Da:	4.33
IP(EA), eV:	-8.56(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-4-[(1R,2R)-1,2,3-trihydroxypropyl]piperidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)[C@H]1C[C@]23CC[C@@H](C(C2)[C@H](C(N3C1)CC4=CC=C(C=C4)OC)O)OP(=O)(O)O

DOS

IR

Vibrations