Geometry & MOs

Info

ID:	279365
PubChem CID:	103843434
Reduced:	NCl2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-106.97
Dipole, Da:	4.99
IP(EA), eV:	-9.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-[2-ethyl-2-(hydroxymethyl)butyl]hexa-2,4-dienamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=C(C=CC(=C1)Cl)Cl)CO

DOS

IR

Vibrations