Geometry & MOs

Info

ID:	89497
PubChem CID:	49962104
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	342.121572
ΔH_f, kcal/mol:	-73.61
Dipole, Da:	8.22
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-acetyl-2-amino-3-cyano-6-methyl-4H-pyran-4-yl)-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)OC

DOS

IR

Vibrations