Geometry & MOs

Info

ID:	387936
PubChem CID:	134987464
Reduced:	OC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	229.038434
ΔH_f, kcal/mol:	-39.72
Dipole, Da:	3.21
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-ethynyl-1,1,1-trifluoromethanesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C=O)C1=CC2=CC=CC=C2C(=C1)OC

DOS

IR

Vibrations