Geometry & MOs

Info

ID:	422966
PubChem CID:	135118698
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-144.51
Dipole, Da:	8.12
IP(EA), eV:	-8.75(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(cyclopropylmethyl)-1-[2-(2,4-dimethylphenoxy)ethyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCC1=NC2=C(N1)C=C(C=C2)OC)C(=O)[C@@H]3CC[C@@H]([C@@H](C3)OC)O

DOS

IR

Vibrations