Geometry & MOs

Info

ID:	354400
PubChem CID:	127286644
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-122.4
Dipole, Da:	3.05
IP(EA), eV:	-8.78(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)OC=C2)NC(=O)N3CCC(CC3)CCN4CCOCC4

DOS

IR

Vibrations