Geometry & MOs

Info

ID:	449086
PubChem CID:	135295918
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	335.098
ΔH_f, kcal/mol:	-36.56
Dipole, Da:	2.09
IP(EA), eV:	-9.11(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-2,6-dimethyl-4-(4-thiophen-2-ylphenyl)-4H-pyran-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C3=CC=CC=N3)C#N)C)C

DOS

IR

Vibrations