Geometry & MOs

Info

ID:	332265
PubChem CID:	127250551
Reduced:	ON3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	41.83
Dipole, Da:	5.3
IP(EA), eV:	-9.41(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)-1-[2-[6-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]butan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=CN=C4

DOS

IR

Vibrations