Geometry & MOs

Info

ID:	173056
PubChem CID:	75590553
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	346.154209
ΔH_f, kcal/mol:	40.49
Dipole, Da:	3.56
IP(EA), eV:	-8.68(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylbenzotriazol-5-yl)-3-phenyl-1,2,3,3a,4,5-hexahydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1(CC2=NC(=C3C4CCCC4=NN3)N=C2C(=O)NC1)C

DOS

IR

Vibrations