Geometry & MOs

Info

ID:	150437
PubChem CID:	53790127
Reduced:	SN4H12C17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	139.62
Dipole, Da:	2.82
IP(EA), eV:	-8.58(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4,5-dimethylimidazol-1-yl)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S)C2=C3N=CC=C(N3N=C2)C4=CC=NC=C4

DOS

IR

Vibrations