Geometry & MOs

Info

ID:	331121
PubChem CID:	127248528
Reduced:	F2N3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	405.181919
ΔH_f, kcal/mol:	-169.7
Dipole, Da:	4.07
IP(EA), eV:	-9.21(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(2-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations