Geometry & MOs

Info

ID:	198918
PubChem CID:	79171393
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	231.140533
ΔH_f, kcal/mol:	-17.06
Dipole, Da:	1.79
IP(EA), eV:	-7.59(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]propanethioamide

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations