Geometry & MOs

Info

ID:	295364
PubChem CID:	117527390
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-7.28
Dipole, Da:	3.21
IP(EA), eV:	-8.4(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-ethyl-1-methylbenzimidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S)N=C1C3CCOCC3

DOS

IR

Vibrations