Geometry & MOs

Info

ID:	422142
PubChem CID:	135117286
Reduced:	ClFN2O3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	3.94
IP(EA), eV:	-9.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[3-(2-methylphenoxy)propyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=C(C=CC(=C3)F)Cl

DOS

IR

Vibrations