Geometry & MOs

Info

ID:	217347
PubChem CID:	85087665
Reduced:	O4N5C17H17 (1)
Stoich.:	A4B5C17D17 (1)
Weight, g/mol:	355.163102
ΔH_f, kcal/mol:	-72.79
Dipole, Da:	3.43
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O,1-O-diethyl 3-O-methyl 1-acetamidohepta-3,5-diene-1,1,3-tricarboxylate

Drug info:

PubChemData

Smile

C1C(OC(O1)COC(=O)C2=CC=CC=C2)CN3C=NC4=C(N=CN=C43)N

DOS

IR

Vibrations