Geometry & MOs

Info

ID:	126527
PubChem CID:	50967266
Reduced:	N4C10H11 (2)
Stoich.:	A4B10C11 (2)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	144.74
Dipole, Da:	5.66
IP(EA), eV:	-8.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[4-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C=CCN1C2=CC=CC=C2N=C1CN3CCN(CC3)C4=NC=NC5=C4NC=N5

DOS

IR

Vibrations