Geometry & MOs

Info

ID:	408447
PubChem CID:	135081213
Reduced:	NO6C10H17 (1)
Stoich.:	AB6C10D17 (1)
Weight, g/mol:	129.078979
ΔH_f, kcal/mol:	-253.28
Dipole, Da:	2.18
IP(EA), eV:	-10.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3,4-dihydroxy-4-methylpentanenitrile

Drug info:

PubChemData

Smile

C=CCOC(=O)NCC[C@H]([C@H](C(=O)CO)O)O

DOS

IR

Vibrations