Geometry & MOs

Info

ID:	1686
PubChem CID:	4877
Reduced:	N5C19H19 (1)
Stoich.:	A5B19C19 (1)
Weight, g/mol:	317.164046
ΔH_f, kcal/mol:	92.66
Dipole, Da:	2.24
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC4=CC=CC=C43)N

DOS

IR

Vibrations