Geometry & MOs

Info

ID:	40551
PubChem CID:	8144315
Reduced:	FSN3O3C15H18 (1)
Stoich.:	ABC3D3E15F18 (1)
Weight, g/mol:	377.186518
ΔH_f, kcal/mol:	-89.24
Dipole, Da:	1.95
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-hydroxy-N-(2-methylphenyl)-4-(morpholin-4-ium-4-ylmethyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NN(C(=S)O1)CN2CCOCC2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations