Geometry & MOs

Info

ID:	313212
PubChem CID:	126612605
Reduced:	N2Cl3O4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	342.136828
ΔH_f, kcal/mol:	-148.92
Dipole, Da:	4.28
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis(3-ethynylphenyl)-2-prop-2-enylpropanediamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC(CCCl)(C=O)C(=O)NC2=CC(=C(C=C2)Cl)O)O)Cl

DOS

IR

Vibrations