Geometry & MOs

Info

ID:	170072
PubChem CID:	75193114
Reduced:	OSN2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	139.074562
ΔH_f, kcal/mol:	-19.4
Dipole, Da:	3.94
IP(EA), eV:	-8.43(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3a,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CCN(CC2O)C(=O)C3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations