Geometry & MOs

Info

ID:	81663
PubChem CID:	49854981
Reduced:	N3O3H23C25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	313.092337
ΔH_f, kcal/mol:	7.46
Dipole, Da:	9.37
IP(EA), eV:	-8.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-nitrobenzohydrazide

Drug info:

PubChemData

Smile

C1CC1N2CN(N3C=CC(=O)C(=O)C3=C2O)C4C5=CC=CC=C5CCC6=CC=CC=C46

DOS

IR

Vibrations