Geometry & MOs

Info

ID:	398013
PubChem CID:	135031355
Reduced:	OSN2H22C24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	70.85
Dipole, Da:	6.14
IP(EA), eV:	-8.1(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-yl)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=NCC3=CC=CC=C3)N2CC4=CC=CC=C4

DOS

IR

Vibrations