Geometry & MOs

Info

ID:	333745
PubChem CID:	127252297
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	401.125467
ΔH_f, kcal/mol:	-29.94
Dipole, Da:	1.48
IP(EA), eV:	-9.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4)C(=O)C5=CC=NN5

DOS

IR

Vibrations