Geometry & MOs

Info

ID:	350575
PubChem CID:	127278610
Reduced:	SN2O4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	365.196408
ΔH_f, kcal/mol:	-158.21
Dipole, Da:	4.54
IP(EA), eV:	-8.85(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1C(=O)NCCC2C3=CC=CC=C3NC2=O

DOS

IR

Vibrations