Geometry & MOs

Info

ID:	57334
PubChem CID:	22395682
Reduced:	O2N4H23C25 (1)
Stoich.:	A2B4C23D25 (1)
Weight, g/mol:	633.331528
ΔH_f, kcal/mol:	14.98
Dipole, Da:	4.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.105649
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.C1=CC(=O)NC1=O

DOS

IR

Vibrations