Geometry & MOs

Info

ID:	331208
PubChem CID:	127248615
Reduced:	FO2N5C24H32 (1)
Stoich.:	AB2C5D24E32 (1)
Weight, g/mol:	441.254003
ΔH_f, kcal/mol:	-45.33
Dipole, Da:	3.51
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=CC=C4F)C)C

DOS

IR

Vibrations