Geometry & MOs

Info

ID:	252291
PubChem CID:	103110311
Reduced:	FON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-46.96
Dipole, Da:	6.09
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-2-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C=C(C=C1)F)C#N

DOS

IR

Vibrations