Geometry & MOs

Info

ID:	290181
PubChem CID:	104417627
Reduced:	SO2N4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	-33.12
Dipole, Da:	3.87
IP(EA), eV:	-8.52(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide

Drug info:

PubChemData

Smile

CCNC(=O)CCNCC1=C(N=C2N1C=CS2)OC

DOS

IR

Vibrations