Geometry & MOs

Info

ID:	43048
PubChem CID:	10318190
Reduced:	N2Cl3O5C13H19 (1)
Stoich.:	A2B3C5D13E19 (1)
Weight, g/mol:	389.089082
ΔH_f, kcal/mol:	-245.52
Dipole, Da:	3.02
IP(EA), eV:	-10.15(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-phenyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-4-amine;perchlorate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)NC(=O)[C@@](C)(CC=C)NC(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations