Geometry & MOs

Info

ID:	266767
PubChem CID:	103579328
Reduced:	BrClNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	209.177964
ΔH_f, kcal/mol:	12.53
Dipole, Da:	4.21
IP(EA), eV:	-9.89(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-2-propylpentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations