Geometry & MOs

Info

ID:	408357
PubChem CID:	135081123
Reduced:	OSH10C13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	125.084064
ΔH_f, kcal/mol:	38.69
Dipole, Da:	3.49
IP(EA), eV:	-9.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-2-hydroxy-3-methylhex-3-enenitrile

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)C(=O)C2=CSC=C2

DOS

IR

Vibrations