Geometry & MOs

Info

ID:	444893
PubChem CID:	135263885
Reduced:	FN2O4C29H31 (1)
Stoich.:	AB2C4D29E31 (1)
Weight, g/mol:	309.03644
ΔH_f, kcal/mol:	-167.48
Dipole, Da:	6.57
IP(EA), eV:	-9.16(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-bromo-12-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C1=CC2=C(CCN(C2)C(=O)C3=C(C=CC(=C3)C)F)C=C1)C4=CN=C(C=C4C)OC

DOS

IR

Vibrations