Geometry & MOs

Info

ID:	290947
PubChem CID:	111646572
Reduced:	O2N5C18H33 (1)
Stoich.:	A2B5C18D33 (1)
Weight, g/mol:	500.13967
ΔH_f, kcal/mol:	-57.6
Dipole, Da:	4.85
IP(EA), eV:	-9.01(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-(oxolan-3-ylmethoxy)propyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCNC(=NC)NCCCOCC2CCOC2

DOS

IR

Vibrations