Geometry & MOs

Info

ID:	1687
PubChem CID:	4878
Reduced:	ClN5C15H16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	301.109423
ΔH_f, kcal/mol:	65.08
Dipole, Da:	1.06
IP(EA), eV:	-8.95(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)N

DOS

IR

Vibrations