Geometry & MOs

Info

ID:	228738
PubChem CID:	87565648
Reduced:	SN4O5F6H22C24 (1)
Stoich.:	AB4C5D6E22F24 (1)
Weight, g/mol:	438.480067
ΔH_f, kcal/mol:	-465.55
Dipole, Da:	6.11
IP(EA), eV:	-9.74(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dioctyltetradecan-1-ol

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1CC2=CC(=NC=C2)NC(=O)C3CC3)C4=CC=C(C=C4)SC(F)(F)F)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations