Geometry & MOs

Info

ID:	349580
PubChem CID:	127275732
Reduced:	F2N3O3C18H25 (1)
Stoich.:	A2B3C3D18E25 (1)
Weight, g/mol:	283.189592
ΔH_f, kcal/mol:	-200.66
Dipole, Da:	3.4
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCOCC1)NC(=O)N2CCOC(C2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations