Geometry & MOs

Info

ID:	333746
PubChem CID:	127252298
Reduced:	ClO3N5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	401.125467
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	2.71
IP(EA), eV:	-9.07(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=NN2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations