Geometry & MOs

Info

ID:	290948
PubChem CID:	111646663
Reduced:	IO2N6C19H29 (1)
Stoich.:	AB2C6D19E29 (1)
Weight, g/mol:	484.13352
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	12.25
IP(EA), eV:	-7.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(isoquinolin-1-ylmethyl)-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCCCOCC1CCOC1)NCC2=CC=C(C=C2)N3C=NC=N3.I

DOS

IR

Vibrations