Geometry & MOs

Info

ID:	256535
PubChem CID:	103139758
Reduced:	ClNOC11H20 (1)
Stoich.:	ABCD11E20 (1)
Weight, g/mol:	284.071641
ΔH_f, kcal/mol:	-81.26
Dipole, Da:	1.25
IP(EA), eV:	-9.13(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-chloro-3-methylphenoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCCC2CCl

DOS

IR

Vibrations