Geometry & MOs

Info

ID:	145124
PubChem CID:	53467571
Reduced:	FeN3O6C24H36 (1)
Stoich.:	AB3C6D24E36 (1)
Weight, g/mol:	415.175673
ΔH_f, kcal/mol:	-250.23
Dipole, Da:	6.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798829
Charge, e:	0

Chem-info

IUPAC name:

4-N-(cyclopropylmethyl)-2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3,4-dicarboxamide

Drug info:

PubChemData

Smile

CC(=O)CC(=NC1CCC1)[O-].CC(=O)CC(=NC1CCC1)[O-].CC(=O)CC(=NC1CCC1)[O-].[Fe+3]

DOS

IR

Vibrations