Geometry & MOs

Info

ID:	167320
PubChem CID:	74809759
Reduced:	FN5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	365.201574
ΔH_f, kcal/mol:	73.57
Dipole, Da:	3.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.915601
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1C[NH+]3CCC4C(C3)C(NN4)C5=CC=CC=C5F

DOS

IR

Vibrations