Geometry & MOs

Info

ID:	332491
PubChem CID:	127250777
Reduced:	O2F3N5C22H26 (1)
Stoich.:	A2B3C5D22E26 (1)
Weight, g/mol:	399.207053
ΔH_f, kcal/mol:	-149.9
Dipole, Da:	4.29
IP(EA), eV:	-8.69(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations