Geometry & MOs

Info

ID:	333715
PubChem CID:	127252267
Reduced:	ClO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	412.130218
ΔH_f, kcal/mol:	-30.86
Dipole, Da:	1.41
IP(EA), eV:	-9.06(-0.57)
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-4-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations