Geometry & MOs

Info

ID:	256575
PubChem CID:	103139966
Reduced:	ClNOC13H24 (1)
Stoich.:	ABCD13E24 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	3.62
IP(EA), eV:	-8.99(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(cyclohexylmethoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CNC2CCCCCC2Cl

DOS

IR

Vibrations