Geometry & MOs

Info

ID:	288918
PubChem CID:	104328470
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-73.74
Dipole, Da:	6.82
IP(EA), eV:	-8.75(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxypiperidin-1-yl)-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NCCCN2CCNCC2)C(=O)O

DOS

IR

Vibrations