Geometry & MOs

Info

ID:

132884

PubChem CID:

51439945

Reduced:

N4H30C33 (1)

Stoich.:

A4B30C33 (1)

Weight, g/mol:

446.113713

ΔHf, kcal/mol:

302.38

Dipole, Da:

9.57

IP(EA), eV:

 -5.19(-2.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-N'-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-imidazol-3-ium-5-yl)ethyl]carbamimidoyl]carbamimidate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]3[C@H]([C@H]1[C@@H]4[C@@H]2[NH+]=NC4(C5=CC=CC=C5)C6=CC=CC=C6)[NH+]=NC3(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations