Geometry & MOs

Info

ID:	331960
PubChem CID:	127250246
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	445.161326
ΔH_f, kcal/mol:	-60.03
Dipole, Da:	3.1
IP(EA), eV:	-9.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-1,2-oxazol-5-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations