Geometry & MOs

Info

ID:	272211
PubChem CID:	103735740
Reduced:	ClFON2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	224.132491
ΔH_f, kcal/mol:	-115.74
Dipole, Da:	3.24
IP(EA), eV:	-9.04(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN[C@H](C)C(=O)NC)F.Cl

DOS

IR

Vibrations