Geometry & MOs

Info

ID:	372984
PubChem CID:	131308046
Reduced:	BrSN2O2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	187.110947
ΔH_f, kcal/mol:	68.21
Dipole, Da:	5.29
IP(EA), eV:	-9.57(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=CC(=C2[N+](=O)[O-])Br)CC#N

DOS

IR

Vibrations