Geometry & MOs

Info

ID:	289399
PubChem CID:	104349736
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	4.31
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-carbamothioyl-2-ethylbutanoyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)NC1CCN(C1)C2=C(C=CC=N2)C#N

DOS

IR

Vibrations