Geometry & MOs

Info

ID:	126526
PubChem CID:	50967146
Reduced:	N7C12H19 (1)
Stoich.:	A7B12C19 (1)
Weight, g/mol:	374.196743
ΔH_f, kcal/mol:	87.68
Dipole, Da:	4.64
IP(EA), eV:	-9.24(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(1-prop-2-enylbenzimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine

Drug info:

PubChemData

Smile

C1CN(CCN1CCN2C=NC=N2)CC3=NC=CN3

DOS

IR

Vibrations