Geometry & MOs

Info

ID:	308046
PubChem CID:	125312634
Reduced:	NOC23H31 (1)
Stoich.:	ABC23D31 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-24.46
Dipole, Da:	2.65
IP(EA), eV:	-8.62(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)OC(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations