Geometry & MOs

Info

ID:	280870
PubChem CID:	103851690
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	254.156518
ΔH_f, kcal/mol:	9.54
Dipole, Da:	4.12
IP(EA), eV:	-8.7(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC(C)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations