Geometry & MOs

Info

ID:	196825
PubChem CID:	78884534
Reduced:	FON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	320.117019
ΔH_f, kcal/mol:	0.02
Dipole, Da:	5.82
IP(EA), eV:	-9.41(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-(pyridin-3-ylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2)C(=O)N(C)CC3=CC(=CC=C3)F

DOS

IR

Vibrations