Geometry & MOs

Info

ID:	396299
PubChem CID:	135028018
Reduced:	O2C4H7 (1)
Stoich.:	A2B4C7 (1)
Weight, g/mol:	346.120509
ΔH_f, kcal/mol:	-66.57
Dipole, Da:	2.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.891511
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-2,3-diphenoxyprop-1-enyl]-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC(=C)C(=[OH+])O

DOS

IR

Vibrations