Geometry & MOs

Info

ID:	28854
PubChem CID:	830060
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-197.36
Dipole, Da:	10.25
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O[C@H](C)C(=O)O)C)C

DOS

IR

Vibrations