Geometry & MOs

Info

ID:	382190
PubChem CID:	134973168
Reduced:	NPO2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	0.77
IP(EA), eV:	-8.54(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-2-[(1S)-1-phenylethyl]-2,4-diazabicyclo[4.2.0]octane-3,5-dione

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N([C@H](C)C2=CC=CC=C2)P(OC)OC

DOS

IR

Vibrations