Geometry & MOs

Info

ID:	364171
PubChem CID:	127314467
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	230.108899
ΔH_f, kcal/mol:	-146.39
Dipole, Da:	3.48
IP(EA), eV:	-8.73(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations