Geometry & MOs

Info

ID:	31787
PubChem CID:	3718173
Reduced:	NO4H27C30 (1)
Stoich.:	AB4C27D30 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	-105.58
Dipole, Da:	1.65
IP(EA), eV:	-9.08(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-1-phenylpropan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OC(=O)CN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46

DOS

IR

Vibrations