Geometry & MOs

Info

ID:	331177
PubChem CID:	127248584
Reduced:	FO3N5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	446.117939
ΔH_f, kcal/mol:	-75.35
Dipole, Da:	7.25
IP(EA), eV:	-8.99(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=CC=C4F)C

DOS

IR

Vibrations