Geometry & MOs

Info

ID:	256857
PubChem CID:	103141900
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	67.0
Dipole, Da:	8.85
IP(EA), eV:	-9.15(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclobutylethyl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations