Geometry & MOs

Info

ID:	218920
PubChem CID:	85090159
Reduced:	F2N3O3H27C31 (1)
Stoich.:	A2B3C3D27E31 (1)
Weight, g/mol:	527.174199
ΔH_f, kcal/mol:	-106.51
Dipole, Da:	8.25
IP(EA), eV:	-8.9(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-dimethyl-2-[2-[[methyl(1-phenylethyl)amino]methyl]naphthalen-1-yl]phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCCNC(=O)C=CC1=CC=C(C=C1)C2=C(NC(=N2)C3=C(C=CC(=C3)F)F)C4=CC=C(C=C4)C=CC(=O)O

DOS

IR

Vibrations