Geometry & MOs

Info

ID:	125956
PubChem CID:	50945606
Reduced:	OSN3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-29.56
Dipole, Da:	5.26
IP(EA), eV:	-8.39(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=C2C=C(SC2=N1)C)NCCCOC(C)C

DOS

IR

Vibrations