Geometry & MOs

Info

ID:	372561
PubChem CID:	131299748
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	231.1293
ΔH_f, kcal/mol:	-60.45
Dipole, Da:	3.75
IP(EA), eV:	-9.32(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-4-(oxan-4-ylmethyl)thiomorpholin-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C(=O)N2CCCC2CN)C

DOS

IR

Vibrations