Geometry & MOs

Info

ID:	333659
PubChem CID:	127252211
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	382.180504
ΔH_f, kcal/mol:	-34.33
Dipole, Da:	5.65
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=C(C3=C(S2)N=CC=C3)C4CN(CCO4)CC5=CC=CC=N5

DOS

IR

Vibrations