Geometry & MOs

Info

ID:	267353
PubChem CID:	103581958
Reduced:	ClNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	243.021769
ΔH_f, kcal/mol:	-38.2
Dipole, Da:	4.13
IP(EA), eV:	-9.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-chloroprop-2-enyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

C/C=C/CCNC(=O)C1=C(C=C(C=C1)C)Cl

DOS

IR

Vibrations