Geometry & MOs

Info

ID:	44268
PubChem CID:	10502303
Reduced:	NO2C28H39 (1)
Stoich.:	AB2C28D39 (1)
Weight, g/mol:	421.10413
ΔH_f, kcal/mol:	-56.0
Dipole, Da:	4.2
IP(EA), eV:	-8.18(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-bromo-3-(dibenzylamino)-4-phenylbutan-2-one

Drug info:

PubChemData

Smile

C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]5C4=CCN(O5)C6=CC=C(C=C6)OC)C

DOS

IR

Vibrations