Geometry & MOs

Info

ID:	332416
PubChem CID:	127250702
Reduced:	FSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	385.19026
ΔH_f, kcal/mol:	-72.15
Dipole, Da:	7.46
IP(EA), eV:	-9.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]-4-(quinolin-5-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CC=C2)C3CN(CCO3)S(=O)(=O)CC4=CC(=CC=C4)F

DOS

IR

Vibrations