Geometry & MOs

Info

ID:	408468
PubChem CID:	135081234
Reduced:	BrOF2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-182.56
Dipole, Da:	1.9
IP(EA), eV:	-10.91(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-methyl-3-(1-phenylethylidene)oxolan-2-one

Drug info:

PubChemData

Smile

CCCCCC[C@@H](CO)C(F)(F)Br

DOS

IR

Vibrations