Geometry & MOs

Info

ID:	290945
PubChem CID:	111644552
Reduced:	O2N4C21H36 (1)
Stoich.:	A2B4C21D36 (1)
Weight, g/mol:	569.22267
ΔH_f, kcal/mol:	-64.4
Dipole, Da:	1.7
IP(EA), eV:	-8.76(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCCCOCC1CCOCC1)NCCN(C)CC2=CC=CC=C2

DOS

IR

Vibrations