Geometry & MOs

Info

ID:	169566
PubChem CID:	75120657
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-42.21
Dipole, Da:	4.79
IP(EA), eV:	-8.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzyl-3-methyl-6-oxo-3,3a,4,5,7,7a-hexahydro-2H-pyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

DOS

IR

Vibrations