Geometry & MOs

Info

ID:	268148
PubChem CID:	103598077
Reduced:	ON2F3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	348.02735
ΔH_f, kcal/mol:	-90.71
Dipole, Da:	6.1
IP(EA), eV:	-9.69(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C=CC(=O)NCC#CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations