Geometry & MOs

Info

ID:	308047
PubChem CID:	125312840
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-142.09
Dipole, Da:	1.75
IP(EA), eV:	-9.46(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,3aS,8aS)-4-oxo-3-phenyl-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H]([C@@H]2[C@H]1CCCCC2=O)C3=CC=CC=C3

DOS

IR

Vibrations