Geometry & MOs

Info

ID:	73433
PubChem CID:	48417685
Reduced:	N2O2F3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	395.182062
ΔH_f, kcal/mol:	-197.69
Dipole, Da:	6.54
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)C(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations