Geometry & MOs

Info

ID:	256522
PubChem CID:	103139697
Reduced:	NO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	261.090212
ΔH_f, kcal/mol:	-153.52
Dipole, Da:	7.4
IP(EA), eV:	-9.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-aminoisoquinolin-8-yl)oxybenzonitrile

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C3=CC=CC=C3C(=O)OC2=O

DOS

IR

Vibrations