Geometry & MOs

Info

ID:	331795
PubChem CID:	127250079
Reduced:	FO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	445.161326
ΔH_f, kcal/mol:	-64.87
Dipole, Da:	5.0
IP(EA), eV:	-9.08(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-1,2-oxazol-5-yl)-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)CCC(=O)N3CCOC(C3)C4=CC=CC(=N4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations