Geometry & MOs

Info

ID:	255978
PubChem CID:	103136032
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	282.209599
ΔH_f, kcal/mol:	-13.86
Dipole, Da:	1.48
IP(EA), eV:	-9.19(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl-(1-methylcyclopentyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1CCCOC1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations