Geometry & MOs

Info

ID:	225222
PubChem CID:	85747983
Reduced:	ClO5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	280.182715
ΔH_f, kcal/mol:	-142.94
Dipole, Da:	4.58
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4,4-dimethyl-1-phenylpentan-3-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)OCO3)Cl

DOS

IR

Vibrations