Geometry & MOs

Info

ID:	379448
PubChem CID:	134419524
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	446.231323
ΔH_f, kcal/mol:	-163.26
Dipole, Da:	3.08
IP(EA), eV:	-10.27(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3-heptylcyclobutyl)sulfanylmethyl]-8-(methoxymethyl)-3-(sulfanylmethyl)naphthalen-1-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)CC1=C(C=C(C=C1)C(=O)CO)C(=O)CO

DOS

IR

Vibrations