Geometry & MOs

Info

ID:	256663
PubChem CID:	103140523
Reduced:	N2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	285.074956
ΔH_f, kcal/mol:	61.51
Dipole, Da:	3.3
IP(EA), eV:	-8.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-nitroisoquinolin-8-yl)amino]pent-4-ynoic acid

Drug info:

PubChemData

Smile

CN(C)CCC(C1=CC=CC2=C1C=NC=C2)NN

DOS

IR

Vibrations