Geometry & MOs

Info

ID:	149011
PubChem CID:	53788682
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	514.164105
ΔH_f, kcal/mol:	-104.38
Dipole, Da:	4.17
IP(EA), eV:	-10.16(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-5-[5-(6-hydroxy-5-isocyano-4-methyl-2-oxo-1-phenylpyridin-3-yl)penta-1,3,4-trienyl]-4-methyl-2-oxo-1-phenylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(CO1)CCCC(=C)C(=O)O

DOS

IR

Vibrations