Geometry & MOs

Info

ID:	137074
PubChem CID:	52149386
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	226.096694
ΔH_f, kcal/mol:	38.68
Dipole, Da:	4.18
IP(EA), eV:	-8.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-pyridin-3-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=C2C(=NN1)C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations