Geometry & MOs

Info

ID:	205985
PubChem CID:	80186344
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	297.04767
ΔH_f, kcal/mol:	-113.7
Dipole, Da:	3.48
IP(EA), eV:	-9.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-bromo-2-ethyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(=O)NC(C)C2=CC(=C(C=C2)C)F

DOS

IR

Vibrations