Geometry & MOs

Info

ID:	163968
PubChem CID:	74381121
Reduced:	CaN2O5C23H30 (1)
Stoich.:	AB2C5D23E30 (1)
Weight, g/mol:	438.200514
ΔH_f, kcal/mol:	-274.86
Dipole, Da:	4.73
IP(EA), eV:	-7.81(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;1-[2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)azanidylpropanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)[N-]C(C)C(=O)N2C3CCCC3CC2C(=O)[O-].[Ca+2]

DOS

IR

Vibrations