Geometry & MOs

Info

ID:	404321
PubChem CID:	135065889
Reduced:	PCl2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	316.086446
ΔH_f, kcal/mol:	-167.36
Dipole, Da:	3.99
IP(EA), eV:	-9.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[ethoxy(phenyl)phosphoryl]ethenyl]-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC(C)(C)P(=O)(C1=C(C=CC(=C1)Cl)O)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations