Geometry & MOs

Info

ID:	136795
PubChem CID:	52101785
Reduced:	ClON5H24C26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	458.174763
ΔH_f, kcal/mol:	90.78
Dipole, Da:	6.37
IP(EA), eV:	-8.36(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)[C@@H](CNC1=C2C(=CN(C2=NC=N1)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=CO5

DOS

IR

Vibrations