Geometry & MOs

Info

ID:	4627
PubChem CID:	11765
Reduced:	ClN3H20C21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	349.134575
ΔH_f, kcal/mol:	66.41
Dipole, Da:	8.41
IP(EA), eV:	-7.87(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;chloride

Drug info:

PubChemData

Smile

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Cl-]

DOS

IR

Vibrations