Geometry & MOs

Info

ID:	397817
PubChem CID:	135030785
Reduced:	ClOC21H23 (1)
Stoich.:	ABC21D23 (1)
Weight, g/mol:	306.16198
ΔH_f, kcal/mol:	-17.3
Dipole, Da:	2.6
IP(EA), eV:	-9.27(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-yl)-2,2,3-trimethyl-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)C1=CC=CC=C1)C2(CCCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations