Geometry & MOs

Info

ID:	89460
PubChem CID:	49961907
Reduced:	Cl2O2N3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	5.15
IP(EA), eV:	-9.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-cyano-2-methyl-4-(3-methylphenyl)-4H-pyran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(O1)N)C#N)C2=C(C(=CC=C2)Cl)Cl)C(=O)N

DOS

IR

Vibrations