Geometry & MOs

Info

ID:	406873
PubChem CID:	135078817
Reduced:	O3H12C16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	254.034586
ΔH_f, kcal/mol:	-41.3
Dipole, Da:	2.57
IP(EA), eV:	-9.42(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorophenyl)-3-methoxycarbonylbut-3-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C=C/C(=O)OC2=CC=CC=C2

DOS

IR

Vibrations