Geometry & MOs

Info

ID:	202962
PubChem CID:	79753535
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	276.129634
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	1.28
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfanyl-3-(1-propylbenzimidazol-2-yl)propan-2-one

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1CC(=O)C3=COC=C3

DOS

IR

Vibrations