Geometry & MOs

Info

ID:	293845
PubChem CID:	117405095
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	5.84
IP(EA), eV:	-9.28(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-[3-(oxolan-3-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(=C)COC1=CC=CC=C1C(CC(=O)O)C2CC2

DOS

IR

Vibrations