Geometry & MOs

Info

ID:	242851
PubChem CID:	99213373
Reduced:	ClFO2N3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	433.205322
ΔH_f, kcal/mol:	-61.5
Dipole, Da:	3.01
IP(EA), eV:	-9.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-(2-phenylphenoxy)propanamide

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

DOS

IR

Vibrations