Geometry & MOs

Info

ID:	232706
PubChem CID:	87576764
Reduced:	O2C4H7 (4)
Stoich.:	A2B4C7 (4)
Weight, g/mol:	457.01663
ΔH_f, kcal/mol:	-397.37
Dipole, Da:	7.25
IP(EA), eV:	-10.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-7-[(5-ethyl-4-methoxy-3-methylpyridin-2-yl)methyl]-5-iodopyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C(CCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O)CCCCO

DOS

IR

Vibrations