Geometry & MOs

Info

ID:	332415
PubChem CID:	127250701
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	416.13184
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	2.87
IP(EA), eV:	-8.33(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-fluorophenyl)methylsulfonyl]-2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCOC(C1)C2=CC=CC(=N2)C3=CN(N=C3)C)OC4=CC=C(C=C4)OC

DOS

IR

Vibrations