Geometry & MOs

Info

ID:	1669
PubChem CID:	4850
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	7.57
Dipole, Da:	1.21
IP(EA), eV:	-8.69(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4

DOS

IR

Vibrations