Geometry & MOs

Info

ID:	388115
PubChem CID:	134988199
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-59.22
Dipole, Da:	5.68
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-butyl-4,5-dihydroimidazol-2-yl)-4-cyanobutanoate

Drug info:

PubChemData

Smile

CC(C)(C#CC(=O)O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations