Geometry & MOs

Info

ID:	128472
PubChem CID:	51045655
Reduced:	ClNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-57.67
Dipole, Da:	4.48
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-butoxyphenyl)-3-(2-ethoxyanilino)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N/C=C/C(=O)C2=CC3=C(C=C2)OCO3)Cl

DOS

IR

Vibrations