Geometry & MOs

Info

ID:	177962
PubChem CID:	76259072
Reduced:	F3N4O4C15H17 (1)
Stoich.:	A3B4C4D15E17 (1)
Weight, g/mol:	381.130026
ΔH_f, kcal/mol:	-243.78
Dipole, Da:	5.13
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1C(CNC(=O)C1NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations