Geometry & MOs

Info

ID:	238971
PubChem CID:	93165795
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	301.147807
ΔH_f, kcal/mol:	-56.76
Dipole, Da:	7.37
IP(EA), eV:	-8.64(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@@H]([C@H](CCC2=O)C(=O)NCC3=CC=CC=N3)C4=CC=CC=C4OC

DOS

IR

Vibrations