Geometry & MOs

Info

ID:	415387
PubChem CID:	135088381
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-94.27
Dipole, Da:	4.59
IP(EA), eV:	-8.92(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)NCCN3CCCCCC3)C(=O)O

DOS

IR

Vibrations