Geometry & MOs

Info

ID:	388082
PubChem CID:	134988100
Reduced:	NS3C6H11 (1)
Stoich.:	AB3C6D11 (1)
Weight, g/mol:	173.120449
ΔH_f, kcal/mol:	31.68
Dipole, Da:	4.28
IP(EA), eV:	-8.44(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-benzyl-2-methylbutanenitrile

Drug info:

PubChemData

Smile

CN(C)C(=S)SSCC=C

DOS

IR

Vibrations