Geometry & MOs

Info

ID:	256444
PubChem CID:	103139241
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	268.193949
ΔH_f, kcal/mol:	-7.49
Dipole, Da:	2.25
IP(EA), eV:	-7.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-yl-N-propylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(CC(=O)N)NC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations