Geometry & MOs

Info

ID:	256821
PubChem CID:	103141636
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	1.17
IP(EA), eV:	-8.68(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCCNC(C2)C3=CC=CC=C3

DOS

IR

Vibrations