Geometry & MOs

Info

ID:	332084
PubChem CID:	127250370
Reduced:	ClN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-54.91
Dipole, Da:	4.08
IP(EA), eV:	-9.28(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(2-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations