Geometry & MOs

Info

ID:	412892
PubChem CID:	135085828
Reduced:	O4C9H10 (1)
Stoich.:	A4B9C10 (1)
Weight, g/mol:	245.93501
ΔH_f, kcal/mol:	-116.64
Dipole, Da:	2.12
IP(EA), eV:	-10.95(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(5-bromothiophen-2-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C#CC(=O)OC

DOS

IR

Vibrations