Geometry & MOs

Info

ID:	310520
PubChem CID:	126581511
Reduced:	FON5H12C15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-0.76
Dipole, Da:	6.5
IP(EA), eV:	-8.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-1-(oxan-4-yl)-3a,4,5,10-tetrahydropyrrolo[3,2-b][1]benzazepine-6-carboxamide

Drug info:

PubChemData

Smile

C1=CN=CC=C1/C(=C/N)/C2=NC3=C(C=C(C=C3N2)F)C(=O)N

DOS

IR

Vibrations