Geometry & MOs

Info

ID:	343378
PubChem CID:	127266551
Reduced:	BrON3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	256.102334
ΔH_f, kcal/mol:	-20.99
Dipole, Da:	5.02
IP(EA), eV:	-9.04(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-difluoro-N-phenyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1CC(=O)N)C2=C(C=CC=N2)Br

DOS

IR

Vibrations