Geometry & MOs

Info

ID:

17362

PubChem CID:

494122

Reduced:

N3H12C13 (1)

Stoich.:

A3B12C13 (1)

Weight, g/mol:

210.103122

ΔHf, kcal/mol:

94.68

Dipole, Da:

1.26

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.291816

Charge, e:

 1

Chem-info

IUPAC name:

3-phenyl-1,4-dihydropyrido[2,1-c][1,2,4]triazin-5-ium

Drug info:

PubChemData

Smile

C1C(=NNC2=CC=CC=[N+]21)C3=CC=CC=C3

DOS

IR

Vibrations