Geometry & MOs

Info

ID:	349454
PubChem CID:	127275241
Reduced:	ClSO2N4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	385.166938
ΔH_f, kcal/mol:	-26.86
Dipole, Da:	2.89
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CCOC1=NN=C(S1)CN2CCC(CC2)C3C4=C(C=C(C=C4)Cl)NC3=O

DOS

IR

Vibrations