Geometry & MOs

Info

ID:	256585
PubChem CID:	103140007
Reduced:	FON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-11.67
Dipole, Da:	4.11
IP(EA), eV:	-8.17(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-ethylcyclohexyl)oxyisoquinolin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=C3C=NC=CC3=C(C=C2)N)F

DOS

IR

Vibrations