Geometry & MOs

Info

ID:	256001
PubChem CID:	103136238
Reduced:	NC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	24.97
Dipole, Da:	1.61
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC(CC1CCCCC1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations