Geometry & MOs

Info

ID:	272210
PubChem CID:	103735735
Reduced:	OSN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	260.109169
ΔH_f, kcal/mol:	6.4
Dipole, Da:	7.8
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-fluoro-4-methylphenyl)methylamino]-N-methylpropanamide;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)NCC1=CC=C(S1)C#N

DOS

IR

Vibrations