Geometry & MOs

Info

ID:	57333
PubChem CID:	22395677
Reduced:	BrO5H13C21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	411.182101
ΔH_f, kcal/mol:	-128.36
Dipole, Da:	5.46
IP(EA), eV:	-9.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;pyrrole-2,5-dione

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)CBr

DOS

IR

Vibrations