Geometry & MOs

Info

ID:	189146
PubChem CID:	77823702
Reduced:	O6N8C33H34 (1)
Stoich.:	A6B8C33D34 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-5.03
Dipole, Da:	4.87
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(5-amino-2,4-dimethylpentoxy)phenyl]-6-methyl-2-oxo-3H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=C)N=C1C(=C(C)N)CCC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)C(=O)OCC5=CC(=CC=C5)CON(O)O

DOS

IR

Vibrations