Geometry & MOs

Info

ID:	392166
PubChem CID:	135013476
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-2.46
Dipole, Da:	4.65
IP(EA), eV:	-9.25(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R)-3-hydroxy-4-methoxy-2-[(2-methylpropan-2-yl)oxy]-4-phenylbutanal

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H]2CCC[C@@]2(C3=CC=CC=C[C@@H]13)C#N

DOS

IR

Vibrations