Geometry & MOs

Info

ID:	256755
PubChem CID:	103141134
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	24.01
Dipole, Da:	9.41
IP(EA), eV:	-9.06(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations