Geometry & MOs

Info

ID:	168137
PubChem CID:	74928374
Reduced:	SiO4C18H38 (1)
Stoich.:	AB4C18D38 (1)
Weight, g/mol:	221.066123
ΔH_f, kcal/mol:	-282.96
Dipole, Da:	1.84
IP(EA), eV:	-9.0(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyanomethyl)-4-oxo-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Drug info:

PubChemData

Smile

CCCCC1C(C(C(CO1)O[Si](C(C)C)(C(C)C)C(C)C)O)O

DOS

IR

Vibrations