Geometry & MOs

Info

ID:	332543
PubChem CID:	127250829
Reduced:	ClO2N5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	445.158389
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	1.23
IP(EA), eV:	-8.64(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations