Geometry & MOs

Info

ID:	326274
PubChem CID:	126687264
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	390.9497
ΔH_f, kcal/mol:	-58.04
Dipole, Da:	3.2
IP(EA), eV:	-8.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-iodopyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1C[C@@H]2CN(C[C@@H]2C1)CC(=O)C3=NC=C(C=C3)O

DOS

IR

Vibrations