Geometry & MOs

Info

ID:	332489
PubChem CID:	127250775
Reduced:	F2O2N5C21H25 (1)
Stoich.:	A2B2C5D21E25 (1)
Weight, g/mol:	423.263425
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	5.01
IP(EA), eV:	-8.67(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations