Geometry & MOs

Info

ID:	290727
PubChem CID:	109858708
Reduced:	IOSN7C19H32 (1)
Stoich.:	ABCD7E19F32 (1)
Weight, g/mol:	556.14813
ΔH_f, kcal/mol:	29.62
Dipole, Da:	7.14
IP(EA), eV:	-9.04(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(1-phenylethyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CN=C(NC2CCCC2)N(C)CC3=CSC(=N3)C(C)OC.I

DOS

IR

Vibrations