Geometry & MOs

Info

ID:	276738
PubChem CID:	103824851
Reduced:	O2N4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	344.02727
ΔH_f, kcal/mol:	-64.11
Dipole, Da:	3.24
IP(EA), eV:	-10.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)(CNC(=O)C1=NC=NN1)O

DOS

IR

Vibrations