Geometry & MOs

Info

ID:	431445
PubChem CID:	135171525
Reduced:	NI2O2H13C20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	278.167065
ΔH_f, kcal/mol:	33.09
Dipole, Da:	0.29
IP(EA), eV:	-8.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-propan-2-ylphenalen-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N2C3=C(C=CC(=C3)I)C4=C2C(=CC=C4)I

DOS

IR

Vibrations