Geometry & MOs

Info

ID:	399436
PubChem CID:	135040277
Reduced:	NC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	35.08
Dipole, Da:	2.86
IP(EA), eV:	-8.41(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,3R,5S,7S)-9-oxo-4-oxa-8-azatricyclo[5.2.0.03,5]nonane-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@]1(CN(C2=CC=CC=C21)C)CC#N

DOS

IR

Vibrations