Geometry & MOs

Info

ID:	256666
PubChem CID:	103140528
Reduced:	S2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	43.33
Dipole, Da:	4.99
IP(EA), eV:	-8.57(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-nitroisoquinolin-8-yl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CCC1C(SCCS1)C(C2=NN(C=C2)C)NN

DOS

IR

Vibrations