Geometry & MOs

Info

ID:	333703
PubChem CID:	127252255
Reduced:	ClO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	412.130218
ΔH_f, kcal/mol:	-31.48
Dipole, Da:	2.27
IP(EA), eV:	-9.02(-0.66)
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]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations