Geometry & MOs

Info

ID:	138636
PubChem CID:	52398690
Reduced:	N5C19H23 (1)
Stoich.:	A5B19C23 (1)
Weight, g/mol:	352.140964
ΔH_f, kcal/mol:	123.34
Dipole, Da:	3.55
IP(EA), eV:	-8.99(0.07)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-cyclohexyl-2-oxo-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN[C@@H](CN2C=CC=N2)C3=CC=CC=C3)CC=C

DOS

IR

Vibrations