Geometry & MOs

Info

ID:	79683
PubChem CID:	49829969
Reduced:	N2O3H22C26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	403.07696
ΔH_f, kcal/mol:	28.72
Dipole, Da:	5.35
IP(EA), eV:	-8.97(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-bromophenyl)methyl-methyl-[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]azanium

Drug info:

PubChemData

Smile

C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC5=CC=CC=C5C=C4)C(=O)C6=CC=CO6

DOS

IR

Vibrations