Geometry & MOs

Info

ID:	132519
PubChem CID:	51374423
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	198.091889
ΔH_f, kcal/mol:	75.13
Dipole, Da:	3.39
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(furan-2-yl)-3,4-dihydroisoquinolin-2-ium

Drug info:

PubChemData

Smile

CC[C@H](C)NC1=C2C=NN(C2=NC=N1)C3=CC=CC(=C3)C

DOS

IR

Vibrations