Geometry & MOs

Info

ID:	137075
PubChem CID:	52149387
Reduced:	N6H10C11 (1)
Stoich.:	A6B10C11 (1)
Weight, g/mol:	339.126615
ΔH_f, kcal/mol:	111.46
Dipole, Da:	6.66
IP(EA), eV:	-8.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzimidazol-1-yl)propyl]-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C2C(=NN1)C(=NC=N2)NC3=CN=CC=C3

DOS

IR

Vibrations