Geometry & MOs

Info

ID:	333701
PubChem CID:	127252253
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	412.130218
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	3.78
IP(EA), eV:	-9.31(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations