Geometry & MOs

Info

ID:	313216
PubChem CID:	126612626
Reduced:	ClN2O2C11H21 (1)
Stoich.:	AB2C2D11E21 (1)
Weight, g/mol:	364.097855
ΔH_f, kcal/mol:	-137.41
Dipole, Da:	4.39
IP(EA), eV:	-9.82(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroethyl)-N,N'-bis(3-ethynylphenyl)propanediamide

Drug info:

PubChemData

Smile

CCCNC(=O)C(CCCl)C(=O)NCCC

DOS

IR

Vibrations