Geometry & MOs

Info

ID:	266738
PubChem CID:	103579248
Reduced:	NOBr2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	235.076392
ΔH_f, kcal/mol:	33.41
Dipole, Da:	3.22
IP(EA), eV:	-10.05(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-N-pent-1-yn-3-ylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations