Geometry & MOs

Info

ID:	375806
PubChem CID:	134221796
Reduced:	ON2Cl3F9H18C23 (1)
Stoich.:	AB2C3D9E18F23 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-498.98
Dipole, Da:	2.52
IP(EA), eV:	-9.78(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[(Z)-1-hydroxy-2-methylbut-1-enyl]hex-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(C2=CC(=C(C(=C2)Cl)Cl)Cl)C(F)(F)F)C(F)(F)F)CNCCNC(=O)CC(F)(F)F

DOS

IR

Vibrations