Geometry & MOs

Info

ID:	419234
PubChem CID:	135107809
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-47.95
Dipole, Da:	3.41
IP(EA), eV:	-8.72(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(3-ethoxybenzoyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(O1)CN2CCN(CC2)CC3=CC(=CC=C3)O

DOS

IR

Vibrations