Geometry & MOs

Info

ID:	409165
PubChem CID:	135081944
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	6.41
IP(EA), eV:	-9.6(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[(1S,2R,3S,4R)-3-isocyanatobicyclo[2.2.1]hept-5-ene-2-carbonyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2N=C=O)C=C3

DOS

IR

Vibrations