Geometry & MOs

Info

ID:	256980
PubChem CID:	103142877
Reduced:	ClNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	5.32
IP(EA), eV:	-9.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(5-nitroisoquinolin-8-yl)oxycyclobutyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C2=CC=CC3=C2C=NC=C3)O)Cl

DOS

IR

Vibrations