Geometry & MOs

Info

ID:	69281
PubChem CID:	46530573
Reduced:	Cl2N3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	401.150619
ΔH_f, kcal/mol:	-77.44
Dipole, Da:	8.1
IP(EA), eV:	-8.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2-methylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)NC(=O)NCC=C)OC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations