Geometry & MOs

Info

ID:	293930
PubChem CID:	117417132
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-156.76
Dipole, Da:	5.74
IP(EA), eV:	-8.97(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(C(=O)O)N)OCC(CO2)(C)C

DOS

IR

Vibrations