Geometry & MOs

Info

ID:	408358
PubChem CID:	135081124
Reduced:	NOC7H11 (1)
Stoich.:	ABC7D11 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-18.33
Dipole, Da:	2.6
IP(EA), eV:	-10.0(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-hydroxy-2-(hydroxymethyl)-3-phenylpropanenitrile

Drug info:

PubChemData

Smile

CC/C=C(\C)/[C@H](C#N)O

DOS

IR

Vibrations