Geometry & MOs

Info

ID:	399973
PubChem CID:	135044267
Reduced:	NO3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	286.112443
ΔH_f, kcal/mol:	-58.61
Dipole, Da:	6.34
IP(EA), eV:	-9.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-2,2-dimethyl-3-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3NC2=O

DOS

IR

Vibrations