Geometry & MOs

Info

ID:	416364
PubChem CID:	135089377
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-26.22
Dipole, Da:	4.46
IP(EA), eV:	-9.23(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CN=C(N=C3C4=CC=CC=C4)N)OCC1

DOS

IR

Vibrations