Geometry & MOs

Info

ID:	124289
PubChem CID:	50877076
Reduced:	ClON2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	236.071641
ΔH_f, kcal/mol:	-20.79
Dipole, Da:	2.87
IP(EA), eV:	-9.12(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-yl-5-chlorobenzimidazole-2-carbaldehyde

Drug info:

PubChemData

Smile

CCC(C)N1C2=C(C=C(C=C2)Cl)N=C1C(=O)C

DOS

IR

Vibrations