Geometry & MOs

Info

ID:	201020
PubChem CID:	79474645
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-46.64
Dipole, Da:	3.02
IP(EA), eV:	-9.27(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-propylbenzimidazol-2-yl)butanoate

Drug info:

PubChemData

Smile

CCC(C1=NC2=C(N1C)N=CC=C2)C(=O)OCC

DOS

IR

Vibrations