Geometry & MOs

Info

ID:	26501
PubChem CID:	650530
Reduced:	ON3C13H14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	33.75
Dipole, Da:	5.87
IP(EA), eV:	-8.31(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-(2-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)C(C3=NN=NN3CC4CCCO4)N5CCCC6=CC=CC=C65

DOS

IR

Vibrations