Geometry & MOs

Info

ID:	186826
PubChem CID:	77490959
Reduced:	FOSN7C20H26 (1)
Stoich.:	ABCD7E20F26 (1)
Weight, g/mol:	215.093286
ΔH_f, kcal/mol:	21.11
Dipole, Da:	7.21
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-benzyltriazin-1-ium-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NN=NN2C3=CC=CC=C3F)C4CC(NC4)C(=O)N5CCSC5

DOS

IR

Vibrations