Geometry & MOs

Info

ID:	276953
PubChem CID:	103825945
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	50.06
Dipole, Da:	7.24
IP(EA), eV:	-9.03(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-(3-methylbutan-2-ylsulfinylmethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNCC2=C(C=CC(=C2)C#N)OC

DOS

IR

Vibrations