Geometry & MOs

Info

ID:	266759
PubChem CID:	103579305
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	283.0008
ΔH_f, kcal/mol:	26.74
Dipole, Da:	3.41
IP(EA), eV:	-9.52(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-fluoro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1CC1C2=CC=CC=C2

DOS

IR

Vibrations