Geometry & MOs

Info

ID:	24418
PubChem CID:	610018
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-50.45
Dipole, Da:	4.17
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-amino-5-cyano-4-(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-4H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C(C1C2=C(NC(=C2C)C#N)C)C#N)N)C

DOS

IR

Vibrations