Geometry & MOs

Info

ID:	367205
PubChem CID:	127323977
Reduced:	OF3N5C16H24 (1)
Stoich.:	AB3C5D16E24 (1)
Weight, g/mol:	388.208611
ΔH_f, kcal/mol:	-201.72
Dipole, Da:	1.22
IP(EA), eV:	-9.63(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CCC(CC3)C(F)(F)F

DOS

IR

Vibrations