Geometry & MOs

Info

ID:	332547
PubChem CID:	127250833
Reduced:	ClO4N5C21H22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	375.19582
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	2.35
IP(EA), eV:	-9.11(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations