Geometry & MOs

Info

ID:	421104
PubChem CID:	135115386
Reduced:	O4N6C19H26 (1)
Stoich.:	A4B6C19D26 (1)
Weight, g/mol:	335.128134
ΔH_f, kcal/mol:	-112.31
Dipole, Da:	8.15
IP(EA), eV:	-9.3(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CN(C=N3)C)NC(=O)C4=CNN=C4

DOS

IR

Vibrations