Geometry & MOs

Info

ID:	262069
PubChem CID:	103268050
Reduced:	NSO2C9H15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-90.66
Dipole, Da:	4.59
IP(EA), eV:	-8.94(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(oxolan-3-yl)ethylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)/C=C/NC1CCCSC1

DOS

IR

Vibrations