Geometry & MOs

Info

ID:	223791
PubChem CID:	85335573
Reduced:	FN4O5H27C31 (1)
Stoich.:	AB4C5D27E31 (1)
Weight, g/mol:	556.464417
ΔH_f, kcal/mol:	-94.81
Dipole, Da:	7.04
IP(EA), eV:	-9.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaen-3-ol

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)C2(CC2C(=O)NO)C3=CC(=C(C=C3)OCC4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6)F

DOS

IR

Vibrations