Geometry & MOs

Info

ID:	199048
PubChem CID:	79190589
Reduced:	BrOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	252.01498
ΔH_f, kcal/mol:	-5.61
Dipole, Da:	3.08
IP(EA), eV:	-9.51(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-4-methylpent-3-en-2-one

Drug info:

PubChemData

Smile

CC(=C)C(=O)CC1=CC=CC=C1Br

DOS

IR

Vibrations