Geometry & MOs

Info

ID:	332528
PubChem CID:	127250814
Reduced:	ClO2N5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	401.161853
ΔH_f, kcal/mol:	14.86
Dipole, Da:	2.87
IP(EA), eV:	-8.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations