Geometry & MOs

Info

ID:	332536
PubChem CID:	127250822
Reduced:	ClO3N5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	385.191403
ΔH_f, kcal/mol:	-25.01
Dipole, Da:	3.11
IP(EA), eV:	-9.32(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations