Geometry & MOs

Info

ID:	89456
PubChem CID:	49961881
Reduced:	BrO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	345.132471
ΔH_f, kcal/mol:	-11.97
Dipole, Da:	4.25
IP(EA), eV:	-9.42(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations