Geometry & MOs

Info

ID:	268149
PubChem CID:	103598087
Reduced:	BrFON2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	277.121512
ΔH_f, kcal/mol:	-13.18
Dipole, Da:	3.6
IP(EA), eV:	-9.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyanophenyl)methyl]-N-methyl-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Br)F)C(=O)C=CC2=CC=CC=N2

DOS

IR

Vibrations