Geometry & MOs

Info

ID:	256097
PubChem CID:	103136970
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	-16.38
Dipole, Da:	2.2
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl-(2-methylfuran-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CC(C)COC)C1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations