Geometry & MOs

Info

ID:	126629
PubChem CID:	50970764
Reduced:	N7C12H13 (1)
Stoich.:	A7B12C13 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	143.02
Dipole, Da:	10.73
IP(EA), eV:	-9.27(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(1-imidazol-1-ylbutan-2-yl)-4-oxo-5-phenoxypyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NN=C(N12)C3=NNC(=N3)C4CC4)C

DOS

IR

Vibrations