Geometry & MOs

Info

ID:	232933
PubChem CID:	87577738
Reduced:	NOC17H38 (1)
Stoich.:	ABC17D38 (1)
Weight, g/mol:	229.108936
ΔH_f, kcal/mol:	-82.06
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752005
Charge, e:	-1

Chem-info

IUPAC name:

2-amino-8-ethyl-4-methyl-7-oxido-8H-1,7-naphthyridine-6-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCC(CCCCC)C[N+](C)(C)CCO

DOS

IR

Vibrations