Geometry & MOs

Info

ID:	136088
PubChem CID:	51976621
Reduced:	ClN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	316.163672
ΔH_f, kcal/mol:	-72.28
Dipole, Da:	4.95
IP(EA), eV:	-8.39(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazol-2-yl]propylazanium

Drug info:

PubChemData

Smile

C[C@@H](CN1C2=C(C=C(C=C2)Cl)N=C1CC3=CC(=C(C=C3)OC)OC)O

DOS

IR

Vibrations