Geometry & MOs

Info

ID:	420672
PubChem CID:	135114646
Reduced:	F2N2O2C19H26 (1)
Stoich.:	A2B2C2D19E26 (1)
Weight, g/mol:	383.145676
ΔH_f, kcal/mol:	-168.33
Dipole, Da:	5.03
IP(EA), eV:	-8.61(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1C[C@@H]2CC(C[C@@H]2C1)N(C)CC3=CC4=C(C=C3)OC(O4)(F)F

DOS

IR

Vibrations