Geometry & MOs

Info

ID:	13094
PubChem CID:	221102
Reduced:	ON5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	229.09636
ΔH_f, kcal/mol:	66.45
Dipole, Da:	4.52
IP(EA), eV:	-8.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=C2C(=NN1)C(=NC=N2)NCC3=CC=CO3

DOS

IR

Vibrations