Geometry & MOs

Info

ID:	297542
PubChem CID:	117620714
Reduced:	NSC48H51 (1)
Stoich.:	ABC48D51 (1)
Weight, g/mol:	508.370516
ΔH_f, kcal/mol:	35.92
Dipole, Da:	1.73
IP(EA), eV:	-8.12(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)-2-(2-methylphenyl)phenol

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3CCCC4C3C5C2CCCC5C6C4CCC(C6)C7=CC=CC8=C7SC9=C8C=C(C=C9)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations