Geometry & MOs

Info

ID:	232646
PubChem CID:	87576626
Reduced:	FO2N3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	158.057909
ΔH_f, kcal/mol:	-35.23
Dipole, Da:	4.42
IP(EA), eV:	-9.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-hydroxy-3-methyl-4-oxohex-2-enoic acid

Drug info:

PubChemData

Smile

C/C(=C/1\C(=O)N(C(C(=O)N1)(C)CC2=CC=C(C=C2)F)C)/C3=C(C=CC=C3C#N)C=C

DOS

IR

Vibrations