Geometry & MOs

Info

ID:	261828
PubChem CID:	103253492
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-132.15
Dipole, Da:	2.24
IP(EA), eV:	-9.06(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1-hydroxycyclohexyl)methylamino]ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CCC(COC)NCC(=C)C(=O)OCC

DOS

IR

Vibrations