Geometry & MOs

Info

ID:	344282
PubChem CID:	127267458
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	4.24
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanoanilino)-N-(thietan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCCC12CC(=O)NN2C(=O)CNC3=CC=C(C=C3)C#N

DOS

IR

Vibrations