Geometry & MOs

Info

ID:	394763
PubChem CID:	135023716
Reduced:	BrOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	202.062994
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	2.95
IP(EA), eV:	-8.55(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-[(E)-2-phenylethenyl]-1,3-dioxol-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)[C@@H]2CCCC=C2Br

DOS

IR

Vibrations