Geometry & MOs

Info

ID:	408355
PubChem CID:	135081121
Reduced:	OC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	115.063329
ΔH_f, kcal/mol:	-57.11
Dipole, Da:	2.37
IP(EA), eV:	-9.16(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2C(C1)CCC(O2)(C)C

DOS

IR

Vibrations