Geometry & MOs

Info

ID:	1688
PubChem CID:	4879
Reduced:	N5H9C11 (1)
Stoich.:	A5B9C11 (1)
Weight, g/mol:	211.085795
ΔH_f, kcal/mol:	106.09
Dipole, Da:	2.49
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)N

DOS

IR

Vibrations