Geometry & MOs

Info

ID:	363175
PubChem CID:	127310214
Reduced:	ClO2N5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	299.149458
ΔH_f, kcal/mol:	-28.33
Dipole, Da:	8.08
IP(EA), eV:	-8.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC3=C(C=C(C=N3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations