Geometry & MOs

Info

ID:	206718
PubChem CID:	80289359
Reduced:	ClNO2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	1.06
IP(EA), eV:	-9.36(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[1-(1-methylcyclopropyl)ethyl]piperidin-4-yl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCC(CCO)CNCC(C1=CC=C(C=C1)Cl)O

DOS

IR

Vibrations