Geometry & MOs

Info

ID:	411445
PubChem CID:	135084276
Reduced:	COH2 (4)
Stoich.:	ABC2 (4)
Weight, g/mol:	208.101878
ΔH_f, kcal/mol:	-180.59
Dipole, Da:	1.99
IP(EA), eV:	-10.75(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-chloro-2-ethylpent-2-enyl]benzene

Drug info:

PubChemData

Smile

C1C(C([C@@H](O1)O)O)O

DOS

IR

Vibrations