Geometry & MOs

Info

ID:	256524
PubChem CID:	103139708
Reduced:	BrNOC9H14 (1)
Stoich.:	ABCD9E14 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	3.55
IP(EA), eV:	-9.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-methylcyclohexyl)oxyisoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CBr)C#N

DOS

IR

Vibrations