Geometry & MOs

Info

ID:	298256
PubChem CID:	117648153
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	331.92344
ΔH_f, kcal/mol:	-3.06
Dipole, Da:	3.32
IP(EA), eV:	-8.55(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dibromo-5-methylphenyl)-2-methylbut-3-en-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(C2=O)(C)C=C

DOS

IR

Vibrations