Geometry & MOs

Info

ID:	13074
PubChem CID:	220728
Reduced:	OC22H28 (1)
Stoich.:	AB22C28 (1)
Weight, g/mol:	308.214016
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	3.32
IP(EA), eV:	-8.74(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(2,4,6-trimethylphenyl)butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CCCC(=O)C2=C(C=C(C=C2C)C)C)C

DOS

IR

Vibrations