Geometry & MOs

Info

ID:	256822
PubChem CID:	103141637
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	283.095691
ΔH_f, kcal/mol:	-48.07
Dipole, Da:	8.44
IP(EA), eV:	-9.14(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylfuran-2-yl)methyl]-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

C1=CC(=C2C=CN=CC2=C1NCCOCCO)[N+](=O)[O-]

DOS

IR

Vibrations