Geometry & MOs

Info

ID:	256664
PubChem CID:	103140524
Reduced:	N3O4H11C14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	287.090606
ΔH_f, kcal/mol:	4.61
Dipole, Da:	5.96
IP(EA), eV:	-9.54(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCC(C(=O)O)NC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations