Geometry & MOs

Info

ID:	266712
PubChem CID:	103579166
Reduced:	BrClON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	35.6
Dipole, Da:	3.39
IP(EA), eV:	-10.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexen-1-yl)-N-pent-1-yn-3-ylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations