Geometry & MOs

Info

ID:	123462
PubChem CID:	50848863
Reduced:	SN4O4C24H28 (1)
Stoich.:	AB4C4D24E28 (1)
Weight, g/mol:	490.258006
ΔH_f, kcal/mol:	-82.31
Dipole, Da:	5.47
IP(EA), eV:	-9.04(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC3=C(C=NN3C=C2)C(=O)N4CCOCC4)S(=O)(=O)CC5=CC=CC=C5

DOS

IR

Vibrations