Geometry & MOs

Info

ID:	50265
PubChem CID:	12012781
Reduced:	NO6C16H21 (1)
Stoich.:	AB6C16D21 (1)
Weight, g/mol:	351.168188
ΔH_f, kcal/mol:	-226.89
Dipole, Da:	2.07
IP(EA), eV:	-10.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H]2C=C[C@@H]1/C(=C\C(=O)OC)/C2C(=O)OC

DOS

IR

Vibrations