Geometry & MOs

Info

ID:	150921
PubChem CID:	53790618
Reduced:	OC19H28 (1)
Stoich.:	AB19C28 (1)
Weight, g/mol:	150.008372
ΔH_f, kcal/mol:	-70.82
Dipole, Da:	4.7
IP(EA), eV:	-9.81(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-methoxybut-2-enoic acid

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@H]1[C@@H]3CCC4C=CC(=O)C[C@@]4([C@H]3CC2)C

DOS

IR

Vibrations