Geometry & MOs

Info

ID:	136108
PubChem CID:	51979537
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	326.154976
ΔH_f, kcal/mol:	-35.69
Dipole, Da:	2.81
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(2-methylpropyl)-2-[(1S)-1-phenylpropyl]benzimidazole

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(N1CC(C)C)C=C(C=C2)Cl)O

DOS

IR

Vibrations