Geometry & MOs

Info

ID:	50943
PubChem CID:	12013542
Reduced:	FO4C8H11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	218.057909
ΔH_f, kcal/mol:	-223.45
Dipole, Da:	4.76
IP(EA), eV:	-10.69(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-(3-oxo-2-benzofuran-1-ylidene)propanoate

Drug info:

PubChemData

Smile

CC1(COC(=O)[C@@H]1OC(=O)CF)C

DOS

IR

Vibrations