Geometry & MOs

Info

ID:	381406
PubChem CID:	134972126
Reduced:	Cl2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	275.90502
ΔH_f, kcal/mol:	-128.19
Dipole, Da:	4.65
IP(EA), eV:	-10.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-chloro-2-iodo-4-methoxybut-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CC1[C@@H](C(C(=O)O1)Cl)CCl

DOS

IR

Vibrations