Geometry & MOs

Info

ID:	183024
PubChem CID:	76970331
Reduced:	I3N3O12C20H26 (1)
Stoich.:	A3B3C12D20E26 (1)
Weight, g/mol:	704.626003
ΔH_f, kcal/mol:	-454.31
Dipole, Da:	7.04
IP(EA), eV:	-9.83(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexadecylnaphthalene;2-hexadecylnaphthalene

Drug info:

PubChemData

Smile

C([C@@H](CO)O)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)C(=O)[C@H]([C@@H]([C@H](CO)O)O)O)I)C(=O)NC[C@H](CO)O)I

DOS

IR

Vibrations