Geometry & MOs

Info

ID:	437250
PubChem CID:	135218276
Reduced:	ClO2N6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	479.183651
ΔH_f, kcal/mol:	20.9
Dipole, Da:	10.88
IP(EA), eV:	-9.26(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-amino-5-chloropyridine-3-carboximidoyl)-6-(1-methylpyrrol-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2CCC1C(C2NC3=NC(=NC(=C3)C4CC4)C5=C6C=C(C=NC6=NN5)Cl)C(=O)O

DOS

IR

Vibrations