Geometry & MOs

Info

ID:	82242
PubChem CID:	49855798
Reduced:	OBr2N2H8C13 (1)
Stoich.:	AB2C2D8E13 (1)
Weight, g/mol:	271.99491
ΔH_f, kcal/mol:	52.21
Dipole, Da:	5.01
IP(EA), eV:	-8.91(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-methylphenazine

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=NC3=CC=CC=C3N=C12)Br)Br

DOS

IR

Vibrations