Geometry & MOs

Info

ID:	198073
PubChem CID:	79043646
Reduced:	BrFON2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	-33.81
Dipole, Da:	3.69
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(2-methylpyridin-3-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)NC(=O)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations