Geometry & MOs

Info

ID:	144940
PubChem CID:	53434536
Reduced:	BrF4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	256.050237
ΔH_f, kcal/mol:	-201.59
Dipole, Da:	4.35
IP(EA), eV:	-10.41(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCCBr)F)C(F)(F)F

DOS

IR

Vibrations