Geometry & MOs

Info

ID:	383243
PubChem CID:	134974865
Reduced:	BOPC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	105.41
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755151
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5S)-7-benzyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

[B][P+](CCOCC)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations