Geometry & MOs

Info

ID:	381397
PubChem CID:	134972117
Reduced:	PO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	305.98505
ΔH_f, kcal/mol:	-142.97
Dipole, Da:	3.63
IP(EA), eV:	-8.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-benzylidene-6,7-dichloro-1,4-benzodioxin-3-one

Drug info:

PubChemData

Smile

CC1(COP(=O)(OC1)CC2=C3C=CC=CC3=CC4=CC=CC=C42)C

DOS

IR

Vibrations