Geometry & MOs

Info

ID:	198110
PubChem CID:	79049413
Reduced:	BrFON2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	238.148141
ΔH_f, kcal/mol:	-65.31
Dipole, Da:	3.78
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-N-(3-fluoro-5-methylphenyl)-3-methylpentanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)NC(=O)C2=CC(=CN2C(C)C)Br

DOS

IR

Vibrations