Geometry & MOs

Info

ID:	404444
PubChem CID:	135066302
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-118.79
Dipole, Da:	4.6
IP(EA), eV:	-10.3(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3-dihydroxy-3-methyl-6-phenylhexanenitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H]1[C@H](C2=CC=CC=C2C(=O)O1)O

DOS

IR

Vibrations