Geometry & MOs

Info

ID:	421753
PubChem CID:	135116541
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-7.02
Dipole, Da:	4.33
IP(EA), eV:	-8.84(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=C4N(C=CN4N=C3)C

DOS

IR

Vibrations