Geometry & MOs

Info

ID:	333749
PubChem CID:	127252301
Reduced:	O3N5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	449.167474
ΔH_f, kcal/mol:	-23.45
Dipole, Da:	3.12
IP(EA), eV:	-9.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=NN2)C3=CC=CC(=N3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations