Geometry & MOs

Info

ID:	406428
PubChem CID:	135077538
Reduced:	OH31C32 (1)
Stoich.:	AB31C32 (1)
Weight, g/mol:	397.243706
ΔH_f, kcal/mol:	61.23
Dipole, Da:	2.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.081196
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H](C2=CC=CC=C2C(C3=CC=CC=C13)(C4=CC=CC=C4)[O+]=CC5=CC=CC=C5)CC

DOS

IR

Vibrations