Geometry & MOs

Info

ID:	313103
PubChem CID:	126611978
Reduced:	ClF2N2O4H33C34 (1)
Stoich.:	AB2C2D4E33F34 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	-219.32
Dipole, Da:	4.69
IP(EA), eV:	-9.04(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC=C(O1)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCC(CC4)(F)F)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations