Geometry & MOs

Info

ID:	178496
PubChem CID:	76336461
Reduced:	N2F3O4H9C16 (1)
Stoich.:	A2B3C4D9E16 (1)
Weight, g/mol:	390.216809
ΔH_f, kcal/mol:	-186.51
Dipole, Da:	6.16
IP(EA), eV:	-9.96(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=C3C=C(NC3=C(C=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations