Geometry & MOs

Info

ID:	447553
PubChem CID:	135283803
Reduced:	FON5H16C19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	273.030504
ΔH_f, kcal/mol:	15.12
Dipole, Da:	6.55
IP(EA), eV:	-9.05(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=C2C(=CNC2=N1)C3=CC(=NC=C3)N)C4=CC(=CC(=C4)F)OC

DOS

IR

Vibrations