Geometry & MOs

Info

ID:	331197
PubChem CID:	127248604
Reduced:	O2F3N5C21H24 (1)
Stoich.:	A2B3C5D21E24 (1)
Weight, g/mol:	443.233268
ΔH_f, kcal/mol:	-148.65
Dipole, Da:	5.15
IP(EA), eV:	-9.37(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=NC=CN3)CCOC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations