Geometry & MOs

Info

ID:	288034
PubChem CID:	104309182
Reduced:	ClNO2C9H16 (1)
Stoich.:	ABC2D9E16 (1)
Weight, g/mol:	237.012746
ΔH_f, kcal/mol:	-91.54
Dipole, Da:	2.38
IP(EA), eV:	-9.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-ylsulfanyl)-2-chloropropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)OCCOCC(C#N)Cl

DOS

IR

Vibrations