Geometry & MOs

Info

ID:	399984
PubChem CID:	135044357
Reduced:	BrNC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	303.993696
ΔH_f, kcal/mol:	16.97
Dipole, Da:	4.86
IP(EA), eV:	-8.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butoxy-3,6,8-trichloro-2,7-naphthyridine

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(N1)C=CC(=C2)Br

DOS

IR

Vibrations