Geometry & MOs

Info

ID:	417970
PubChem CID:	135103189
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	361.225308
ΔH_f, kcal/mol:	-72.55
Dipole, Da:	7.26
IP(EA), eV:	-9.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations