Geometry & MOs

Info

ID:	266690
PubChem CID:	103579103
Reduced:	ClON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	298.97125
ΔH_f, kcal/mol:	17.03
Dipole, Da:	3.18
IP(EA), eV:	-10.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=NC=CC(=C1)Cl

DOS

IR

Vibrations