Geometry & MOs

Info

ID:	293068
PubChem CID:	117373249
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-129.34
Dipole, Da:	4.91
IP(EA), eV:	-8.73(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC2=C1OCO2)C3(CC3)CC(=O)O

DOS

IR

Vibrations