Geometry & MOs

Info

ID:	177396
PubChem CID:	76180271
Reduced:	N2O3H14C16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-67.04
Dipole, Da:	6.11
IP(EA), eV:	-9.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-hydroxy-3-methylbutylidene)-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C(=C(C2=CC=CC=C2)O)C1=O)C)C#N

DOS

IR

Vibrations