Geometry & MOs

Info

ID:	260930
PubChem CID:	103209962
Reduced:	N2O2F3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	296.133634
ΔH_f, kcal/mol:	-173.66
Dipole, Da:	3.4
IP(EA), eV:	-9.35(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(2,2-difluoroethoxy)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)COCC(F)(F)F)C#CCN

DOS

IR

Vibrations