Geometry & MOs

Info

ID:	351968
PubChem CID:	127282886
Reduced:	ClN2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	228.129634
ΔH_f, kcal/mol:	-109.76
Dipole, Da:	3.34
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylcyclopropyl)-2-methylthiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)NCC2=C3C(=CC=C2)OCO3)C4=CC=CC=C4Cl

DOS

IR

Vibrations