Geometry & MOs

Info

ID:	126120
PubChem CID:	50952646
Reduced:	N6H14C17 (1)
Stoich.:	A6B14C17 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	151.22
Dipole, Da:	4.26
IP(EA), eV:	-9.29(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C2=CC=C(C=C2)C3=CC=NN3)C4=CC=CC=N4

DOS

IR

Vibrations