Geometry & MOs

Info

ID:	391907
PubChem CID:	135010881
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	386.08814
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	2.91
IP(EA), eV:	-8.21(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)-(2,4,6-trimethylphenyl)methyl]pentane-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=CC(=C(C(=C2C3=C1C=C(C#C3)OC)OC)OC)OC

DOS

IR

Vibrations