Geometry & MOs

Info

ID:	332555
PubChem CID:	127250841
Reduced:	ClO3N5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	441.156767
ΔH_f, kcal/mol:	-32.17
Dipole, Da:	5.22
IP(EA), eV:	-8.82(-0.32)
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]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations