Geometry & MOs

Info

ID:	27493
PubChem CID:	821622
Reduced:	OCl3N3C11H14 (1)
Stoich.:	AB3C3D11E14 (1)
Weight, g/mol:	246.080456
ΔH_f, kcal/mol:	-42.39
Dipole, Da:	4.16
IP(EA), eV:	-9.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@H](C(Cl)(Cl)Cl)NCC1=CN=CC=C1

DOS

IR

Vibrations