Geometry & MOs

Info

ID:	343883
PubChem CID:	127267059
Reduced:	BrOF3N3H9C11 (1)
Stoich.:	ABC3D3E9F11 (1)
Weight, g/mol:	341.165188
ΔH_f, kcal/mol:	-133.77
Dipole, Da:	7.18
IP(EA), eV:	-9.34(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]imidazol-2-yl]methyl]morpholine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CN2C=C(C(=CC2=O)C(F)(F)F)Br

DOS

IR

Vibrations