Geometry & MOs

Info

ID:	89455
PubChem CID:	49961870
Reduced:	Cl2O2N3H9C10 (1)
Stoich.:	A2B2C3D9E10 (1)
Weight, g/mol:	333.01129
ΔH_f, kcal/mol:	-51.49
Dipole, Da:	1.17
IP(EA), eV:	-9.47(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)/C(=N/NC1=CC(=CC(=C1)Cl)Cl)/C(=O)N

DOS

IR

Vibrations