Geometry & MOs

Info

ID:	347114
PubChem CID:	127271618
Reduced:	FN3O5C19H24 (1)
Stoich.:	AB3C5D19E24 (1)
Weight, g/mol:	351.159434
ΔH_f, kcal/mol:	-236.82
Dipole, Da:	6.63
IP(EA), eV:	-9.14(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations