Geometry & MOs

Info

ID:	164743
PubChem CID:	74446069
Reduced:	OSF2N4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	354.155512
ΔH_f, kcal/mol:	-41.73
Dipole, Da:	4.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.047019
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]morpholine

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C2CCN(C2)C(=O)C3=CSN=N3)CC4=C(C(=CC=C4)F)F

DOS

IR

Vibrations