Geometry & MOs

Info

ID:	123469
PubChem CID:	50849122
Reduced:	SO3N4C27H34 (1)
Stoich.:	AB3C4D27E34 (1)
Weight, g/mol:	424.247441
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	7.15
IP(EA), eV:	-8.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C3=CC4=C(C=NN4C=C3)C(=O)N5CCC(CC5)C

DOS

IR

Vibrations