Geometry & MOs

Info

ID:	206112
PubChem CID:	80205319
Reduced:	BrNF2O2H12C15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	248.132491
ΔH_f, kcal/mol:	-130.13
Dipole, Da:	1.81
IP(EA), eV:	-9.22(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)F)F)(C(=O)O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations