Geometry & MOs

Info

ID:	126390
PubChem CID:	50963208
Reduced:	ON7H17C19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	127.68
Dipole, Da:	9.39
IP(EA), eV:	-9.5(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[cyclopropyl-(3-methylpyridin-2-yl)methyl]-4-oxo-5-phenoxypyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=CN=C2CNC(=O)C3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations