Geometry & MOs

Info

ID:	411916
PubChem CID:	135084772
Reduced:	BrON2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	810.472273
ΔH_f, kcal/mol:	77.56
Dipole, Da:	5.42
IP(EA), eV:	-8.3(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC2=C3C=C(N(C=C3N=C2C=C1)O)Br

DOS

IR

Vibrations