Geometry & MOs

Info

ID:	396733
PubChem CID:	135029110
Reduced:	BrOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	328.08266
ΔH_f, kcal/mol:	-33.81
Dipole, Da:	4.17
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-tert-butyl-8-ethyl-3-methylacenaphthylene

Drug info:

PubChemData

Smile

CCC1=CC(=C2C=C(C(=C3C2=C1CC3=O)C)Br)C(C)(C)C

DOS

IR

Vibrations