Geometry & MOs

Info

ID:	127548
PubChem CID:	51005821
Reduced:	BrO2H19C23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	346.240899
ΔH_f, kcal/mol:	15.84
Dipole, Da:	5.08
IP(EA), eV:	-9.22(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,4S)-5-[(1R)-1-phenylethyl]-2-[(1S)-1-phenylethyl]-3-prop-2-enyl-2,5-diazabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C=CC1=C[C@]2([C@@H](C[C@H]1OC2=O)C3=CC=CC=C3/C=C/C4=CC=CC=C4)Br

DOS

IR

Vibrations