Geometry & MOs

Info

ID:	66054
PubChem CID:	46490903
Reduced:	SF2N4O5C17H18 (1)
Stoich.:	AB2C4D5E17F18 (1)
Weight, g/mol:	302.143056
ΔH_f, kcal/mol:	-216.63
Dipole, Da:	4.04
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenoxy)-N-(1-pyridin-2-ylethyl)butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3)OC(F)F

DOS

IR

Vibrations