Geometry & MOs

Info

ID:	431446
PubChem CID:	135171526
Reduced:	OC20H22 (1)
Stoich.:	AB20C22 (1)
Weight, g/mol:	264.151415
ΔH_f, kcal/mol:	-11.32
Dipole, Da:	3.75
IP(EA), eV:	-8.86(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-2-ethylphenalen-1-one

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=O)C2=CC=CC3=C2C1=CC=C3)C(C)(C)C

DOS

IR

Vibrations