Geometry & MOs

Info

ID:	271714
PubChem CID:	103689473
Reduced:	O2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	219.1293
ΔH_f, kcal/mol:	-13.5
Dipole, Da:	6.07
IP(EA), eV:	-9.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-ethylsulfanylethylamino)oxan-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN(C)C(=O)C2=NNC(=O)C=C2

DOS

IR

Vibrations