Geometry & MOs

Info

ID:	75240
PubChem CID:	48423221
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-46.0
Dipole, Da:	7.62
IP(EA), eV:	-9.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC(C2)C3=NN=C4N3C=CC=C4

DOS

IR

Vibrations