Geometry & MOs

Info

ID:

987

PubChem CID:

3624

Reduced:

N3H20C21 (1)

Stoich.:

A3B20C21 (1)

Weight, g/mol:

314.165723

ΔHf, kcal/mol:

69.06

Dipole, Da:

2.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.107058

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations