Geometry & MOs

Info

ID:	328337
PubChem CID:	126700741
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	377.88647
ΔH_f, kcal/mol:	-15.42
Dipole, Da:	3.98
IP(EA), eV:	-7.84(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-iodo-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)NCC4CC4)N=C2N5CCOCC5

DOS

IR

Vibrations