Geometry & MOs

Info

ID:	342079
PubChem CID:	127264792
Reduced:	OF2N2H16C19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	260.132491
ΔH_f, kcal/mol:	-84.04
Dipole, Da:	1.77
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=C(C=C2)F)C(=O)CC3=CNC4=C3C=C(C=C4)F

DOS

IR

Vibrations