Geometry & MOs

Info

ID:	332530
PubChem CID:	127250816
Reduced:	F2O2N5C20H23 (1)
Stoich.:	A2B2C5D20E23 (1)
Weight, g/mol:	435.18821
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	2.57
IP(EA), eV:	-8.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations