Geometry & MOs

Info

ID:	46684
PubChem CID:	10526240
Reduced:	N2O3C10H15 (2)
Stoich.:	A2B3C10D15 (2)
Weight, g/mol:	422.185509
ΔH_f, kcal/mol:	-212.01
Dipole, Da:	3.27
IP(EA), eV:	-9.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-(4-methylanilino)-5-(4-methylphenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)NCCCNCCCCN)NC(=O)[C@H]2[C@@H](O2)C(=O)O)O

DOS

IR

Vibrations