Geometry & MOs

Info

ID:	196924
PubChem CID:	78897750
Reduced:	BrSN2F3O3C13H16 (1)
Stoich.:	ABC2D3E3F13G16 (1)
Weight, g/mol:	296.17002
ΔH_f, kcal/mol:	-252.88
Dipole, Da:	3.19
IP(EA), eV:	-9.86(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCCCOCC(F)(F)F)C(=O)C1=CC=C(S1)Br

DOS

IR

Vibrations