Geometry & MOs

Info

ID:	272954
PubChem CID:	103768840
Reduced:	NF2O3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	257.14495
ΔH_f, kcal/mol:	-230.16
Dipole, Da:	6.79
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol

Drug info:

PubChemData

Smile

CCC(C)(CCO)NCC1=CC(=C(C=C1)OC)OC(F)F

DOS

IR

Vibrations