Geometry & MOs

Info

ID:	202483
PubChem CID:	79679342
Reduced:	NO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-103.0
Dipole, Da:	4.54
IP(EA), eV:	-9.05(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-2-methylcyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCC(C2)C(=O)O

DOS

IR

Vibrations