Geometry & MOs

Info

ID:	123459
PubChem CID:	50848822
Reduced:	O4N5C26H31 (1)
Stoich.:	A4B5C26D31 (1)
Weight, g/mol:	464.188212
ΔH_f, kcal/mol:	-88.97
Dipole, Da:	5.09
IP(EA), eV:	-8.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]-2-phenylsulfanylethanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)N2CCC(CC2)C3=CC4=C(C=NN4C=C3)C(=O)N5CCOCC5

DOS

IR

Vibrations