Geometry & MOs

Info

ID:	267344
PubChem CID:	103581929
Reduced:	ClNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	269.060742
ΔH_f, kcal/mol:	-143.56
Dipole, Da:	5.57
IP(EA), eV:	-9.77(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-ethynylphenyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)CCCNC(=O)C1=C(C=C(C=C1)C)Cl

DOS

IR

Vibrations