Geometry & MOs

Info

ID:	412053
PubChem CID:	135084916
Reduced:	AuClPO2H14C19 (2)
Stoich.:	ABCD2E14F19 (2)
Weight, g/mol:	292.05751
ΔH_f, kcal/mol:	-2.36
Dipole, Da:	7.45
IP(EA), eV:	-8.49(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-pyrrolidin-2-yl]methyl]isoquinolin-2-ium;bromide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Au].Cl[Au]

DOS

IR

Vibrations