Geometry & MOs

Info

ID:	396792
PubChem CID:	135029229
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	264.01498
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	3.94
IP(EA), eV:	-8.74(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-5-methylhex-1-yn-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1/C(=C\CO)/C2=CC=CC=C2)O)C

DOS

IR

Vibrations