Geometry & MOs

Info

ID:	168648
PubChem CID:	74998207
Reduced:	ClS2N5O6C19H26 (1)
Stoich.:	AB2C5D6E19F26 (1)
Weight, g/mol:	324.196354
ΔH_f, kcal/mol:	-177.86
Dipole, Da:	3.49
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-6-propyl-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-6-ium-10,11-diol

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1)CC(CC2=NN=C(N)N)C3=CC=CC=C3Cl.CS(=O)(=O)O.CS(=O)(=O)O

DOS

IR

Vibrations