Geometry & MOs

Info

ID:	323259
PubChem CID:	126673859
Reduced:	BrON2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	377.0375
ΔH_f, kcal/mol:	26.5
Dipole, Da:	6.45
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-6-[2-(6-methoxypyridin-3-yl)hydrazinyl]-3,4-dihydro-2H-1-benzoxepin-5-one

Drug info:

PubChemData

Smile

C1COC2=CC(=CC3=C2N1C=N3)Br

DOS

IR

Vibrations