Geometry & MOs

Info

ID:	332549
PubChem CID:	127250835
Reduced:	F3O3N4C20H25 (1)
Stoich.:	A3B3C4D20E25 (1)
Weight, g/mol:	444.167666
ΔH_f, kcal/mol:	-224.27
Dipole, Da:	3.61
IP(EA), eV:	-9.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)CC(=O)N1CCOC(C1)C2=NNC(=C2)CCOC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations