Geometry & MOs

Info

ID:	225760
PubChem CID:	87225961
Reduced:	N3O5C34H41 (1)
Stoich.:	A3B5C34D41 (1)
Weight, g/mol:	534.289386
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	3.37
IP(EA), eV:	-8.66(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-[[2-(4-fluorophenyl)ethylamino]methyl]-8-naphthalen-1-yloxy-N-(oxan-2-yloxy)oct-6-enamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)NOC3CCCCO3)/COC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations