Geometry & MOs

Info

ID:	265528
PubChem CID:	103528327
Reduced:	ClON2F4H7C9 (1)
Stoich.:	ABC2D4E7F9 (1)
Weight, g/mol:	293.04153
ΔH_f, kcal/mol:	-217.72
Dipole, Da:	2.86
IP(EA), eV:	-10.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-hex-1-yn-3-ylacetamide

Drug info:

PubChemData

Smile

C1=CN=C(C=C1C(=O)NCC(C(F)F)(F)F)Cl

DOS

IR

Vibrations