Geometry & MOs

Info

ID:	200630
PubChem CID:	79417824
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	3.51
Dipole, Da:	1.58
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-2-(oxolan-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CC2=CSC=N2)CNCCOC

DOS

IR

Vibrations