Geometry & MOs

Info

ID:	379887
PubChem CID:	134963677
Reduced:	NOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	262.076057
ΔH_f, kcal/mol:	-25.07
Dipole, Da:	5.13
IP(EA), eV:	-10.44(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-6-chloro-3-(2-phenylethynyl)hex-2-enoate

Drug info:

PubChemData

Smile

CCC/C=C/C(C)(C#N)O

DOS

IR

Vibrations