Geometry & MOs

Info

ID:	180473
PubChem CID:	76638762
Reduced:	ClNO5C16H20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	490.22162
ΔH_f, kcal/mol:	-160.77
Dipole, Da:	7.94
IP(EA), eV:	-9.48(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[amino-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)pyridin-2-yl]butan-2-yl]phenyl]methylidene]amino] 2-acetyloxyacetate

Drug info:

PubChemData

Smile

COCCC1=CC(=O)C2=CC=C(C(C2=N1)Cl)OCC(OC)OC

DOS

IR

Vibrations