Geometry & MOs

Info

ID:	256982
PubChem CID:	103142887
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-12.83
Dipole, Da:	4.99
IP(EA), eV:	-8.81(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-nitroisoquinolin-8-yl)oxycyclobutan-1-amine

Drug info:

PubChemData

Smile

CCCN1CCCC(CC1)(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations