Geometry & MOs

Info

ID:	288926
PubChem CID:	104328578
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-141.13
Dipole, Da:	9.57
IP(EA), eV:	-8.46(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCC3(CCCCC3C2)O)C(=O)O

DOS

IR

Vibrations