Geometry & MOs

Info

ID:	208174
PubChem CID:	80502100
Reduced:	ON2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	260.098334
ΔH_f, kcal/mol:	-29.8
Dipole, Da:	3.3
IP(EA), eV:	-9.58(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-3-methyl-N-(3-methylsulfanylphenyl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CCCN(C)C(=O)C1(CC(C1)C)C#N

DOS

IR

Vibrations