Geometry & MOs

Info

ID:	142102
PubChem CID:	52980563
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	321.172879
ΔH_f, kcal/mol:	-32.45
Dipole, Da:	3.35
IP(EA), eV:	-9.09(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N,4-dimethylanilino)-4-(4-propan-2-ylphenyl)cyclobutane-1,2-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC2C(C(=O)C2=O)C3=CC=CC=C3

DOS

IR

Vibrations