Geometry & MOs

Info

ID:	328338
PubChem CID:	126700744
Reduced:	BrION2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	266.00548
ΔH_f, kcal/mol:	42.92
Dipole, Da:	6.38
IP(EA), eV:	-9.02(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-methyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)Br)N=C2I

DOS

IR

Vibrations