Geometry & MOs

Info

ID:	276746
PubChem CID:	103824920
Reduced:	SN2O3C8H12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	349.06774
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	5.36
IP(EA), eV:	-9.89(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(2-hydroxy-4-methylpentyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

COCC(CNC(=O)C1=CN=CS1)O

DOS

IR

Vibrations