Geometry & MOs

Info

ID:	256930
PubChem CID:	103142491
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-136.68
Dipole, Da:	3.37
IP(EA), eV:	-8.81(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl-(5-nitroisoquinolin-8-yl)amino]ethanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC2=CC=CC=C2OC)CO

DOS

IR

Vibrations