Geometry & MOs

Info

ID:	23728
PubChem CID:	605570
Reduced:	OC13H18 (2)
Stoich.:	AB13C18 (2)
Weight, g/mol:	380.27153
ΔH_f, kcal/mol:	-99.02
Dipole, Da:	3.47
IP(EA), eV:	-9.15(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[10-tert-butyl-9-(4-hydroxybutyl)-10H-anthracen-9-yl]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1C2=CC=CC=C2C(C3=CC=CC=C13)(CCCCO)CCCCO

DOS

IR

Vibrations