Geometry & MOs

Info

ID:	399957
PubChem CID:	135044193
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	266.167065
ΔH_f, kcal/mol:	-22.79
Dipole, Da:	2.37
IP(EA), eV:	-7.98(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3-trimethyl-1,3-diphenylbutan-1-one

Drug info:

PubChemData

Smile

CC1=CC(C2=CC=CC=C2[NH+]1)CO

DOS

IR

Vibrations