Geometry & MOs

Info

ID:	26741
PubChem CID:	796467
Reduced:	ClN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	164.047344
ΔH_f, kcal/mol:	-77.31
Dipole, Da:	3.03
IP(EA), eV:	-8.73(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(furan-2-ylmethylidene)oxolan-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations