Geometry & MOs

Info

ID:	256636
PubChem CID:	103140356
Reduced:	N5C12H23 (1)
Stoich.:	A5B12C23 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	52.05
Dipole, Da:	5.95
IP(EA), eV:	-8.32(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-nitroisoquinolin-8-yl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2(CCCC2)N(C)C)NN

DOS

IR

Vibrations