Geometry & MOs

Info

ID:	398434
PubChem CID:	135033276
Reduced:	NO5C34H37 (1)
Stoich.:	AB5C34D37 (1)
Weight, g/mol:	226.080536
ΔH_f, kcal/mol:	-103.86
Dipole, Da:	3.36
IP(EA), eV:	-9.18(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2[C@H](C(C([C@@H](O2)OCC3=CC=CC=C3)N)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations