Geometry & MOs

Info

ID:	227687
PubChem CID:	87562230
Reduced:	IO5F6N7C36H42 (1)
Stoich.:	AB5C6D7E36F42 (1)
Weight, g/mol:	215.058282
ΔH_f, kcal/mol:	-435.5
Dipole, Da:	3.62
IP(EA), eV:	-8.94(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;1,1,2,3-tetramethylguanidine;carbonate

Drug info:

PubChemData

Smile

CCC1CC(CC(N1C(=O)OC2CN(C2C(=O)I)C(=O)OC(C)(C)C)CC)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)C5=CN(N=C5)C

DOS

IR

Vibrations