Geometry & MOs

Info

ID:	182176
PubChem CID:	76856311
Reduced:	IO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	406.085098
ΔH_f, kcal/mol:	24.91
Dipole, Da:	5.18
IP(EA), eV:	-9.11(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dichlorophenyl)methyl]-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)CCC(=O)NC3=CC(=CC=C3)I)C=C1

DOS

IR

Vibrations