Geometry & MOs

Info

ID:	321962
PubChem CID:	126667540
Reduced:	O2N7C24H27 (1)
Stoich.:	A2B7C24D27 (1)
Weight, g/mol:	154.062994
ΔH_f, kcal/mol:	97.14
Dipole, Da:	5.68
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,3E)-3-ethylidene-2-oxohex-4-enoic acid

Drug info:

PubChemData

Smile

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C4C(O4)N(C2=O)CC5=CC=CC=C5C#N)C

DOS

IR

Vibrations