Geometry & MOs

Info

ID:	418353
PubChem CID:	135104290
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	28.43
Dipole, Da:	6.34
IP(EA), eV:	-8.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=N/C(=C/2\C=CC=CC2=O)/N1)NCCCC3=CC=CC=N3

DOS

IR

Vibrations