Geometry & MOs

Info

ID:	256864
PubChem CID:	103141934
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	29.27
Dipole, Da:	8.33
IP(EA), eV:	-9.14(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(5-nitroisoquinolin-8-yl)amino]methyl]cyclobutan-1-ol

Drug info:

PubChemData

Smile

C1CC(CSC1)NC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations