Geometry & MOs

Info

ID:	50264
PubChem CID:	12012780
Reduced:	NO6C19H19 (1)
Stoich.:	AB6C19D19 (1)
Weight, g/mol:	323.136887
ΔH_f, kcal/mol:	-174.49
Dipole, Da:	3.12
IP(EA), eV:	-9.42(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-O-tert-butyl 2-O-methyl (1S,3Z,4R)-3-(2-methoxy-2-oxoethylidene)-7-azabicyclo[2.2.1]hept-5-ene-2,7-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)/C=C/1\[C@H]2C=C[C@@H](C1C(=O)OC)N2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations