Geometry & MOs

Info

ID:	378454
PubChem CID:	134224536
Reduced:	ClFOSN5C19H19 (1)
Stoich.:	ABCDE5F19G19 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	8.69
Dipole, Da:	3.51
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butan-2-yloxy-N-methylnaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCC[C@@H]2OC3=CC(=C(C=C3Cl)SNC4=NC=NC=C4)F

DOS

IR

Vibrations