Geometry & MOs

Info

ID:	216412
PubChem CID:	85086196
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	-124.19
Dipole, Da:	1.31
IP(EA), eV:	-9.01(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-[1-(4-methylphenyl)sulfinylethyl]pentanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCCC(C1=COC)CCC#N

DOS

IR

Vibrations