Geometry & MOs

Info

ID:	291463
PubChem CID:	112388961
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	514.15532
ΔH_f, kcal/mol:	2.53
Dipole, Da:	7.05
IP(EA), eV:	-9.44(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)CNCC(C3=CC=NC=C3)O)[N+](=O)[O-]

DOS

IR

Vibrations