Geometry & MOs

Info

ID:	256614
PubChem CID:	103140226
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	275.090606
ΔH_f, kcal/mol:	15.02
Dipole, Da:	4.41
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-nitroisoquinolin-8-yl)amino]butanoic acid

Drug info:

PubChemData

Smile

C1CC(COC1)C(C2=CC=CC3=C2C=NC=C3)NN

DOS

IR

Vibrations