Geometry & MOs

Info

ID:	326216
PubChem CID:	126687180
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	380.152765
ΔH_f, kcal/mol:	-124.64
Dipole, Da:	3.78
IP(EA), eV:	-9.45(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7aR)-5-chloro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-fluoro-N-[[(3R)-1-hydroxypiperidin-3-yl]methyl]-1,2-dihydropyrimidin-6-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@H]2CCCOC2

DOS

IR

Vibrations