Geometry & MOs

Info

ID:	218362
PubChem CID:	85089230
Reduced:	ON3H12C13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	456.238608
ΔH_f, kcal/mol:	90.41
Dipole, Da:	5.15
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-butyl-1-[[4-[4-(tetrazolidin-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-1-oxidopyrimidin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(CN4C=NC5=C(N=NN=C54)N)O

DOS

IR

Vibrations