Geometry & MOs

Info

ID:	228396
PubChem CID:	87564194
Reduced:	BrINOH7C9 (1)
Stoich.:	ABCDE7F9 (1)
Weight, g/mol:	312.104482
ΔH_f, kcal/mol:	18.02
Dipole, Da:	3.56
IP(EA), eV:	-9.77(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-amino-8-ethyl-4-methyl-7-oxido-7,8-dihydro-1,7-naphthyridin-7-ium-6-yl)thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Br)I)N=C=O

DOS

IR

Vibrations