Geometry & MOs

Info

ID:	351989
PubChem CID:	127282907
Reduced:	N2O2C9H16 (2)
Stoich.:	A2B2C9D16 (2)
Weight, g/mol:	258.140199
ΔH_f, kcal/mol:	-189.75
Dipole, Da:	5.23
IP(EA), eV:	-9.21(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(oxan-3-ylmethyl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NCC3COCCO3

DOS

IR

Vibrations