Geometry & MOs

Info

ID:	181462
PubChem CID:	76747735
Reduced:	F3O3N5C18H18 (1)
Stoich.:	A3B3C5D18E18 (1)
Weight, g/mol:	341.135111
ΔH_f, kcal/mol:	-196.38
Dipole, Da:	3.08
IP(EA), eV:	-8.86(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)CCC3COC(=N3)N

DOS

IR

Vibrations