Geometry & MOs

Info

ID:	143739
PubChem CID:	53253233
Reduced:	O2N3H21C24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	393.207722
ΔH_f, kcal/mol:	-2.6
Dipole, Da:	2.19
IP(EA), eV:	-8.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2,2-dimethylpropanenitrile

Drug info:

PubChemData

Smile

COC(=O)N1C2CCC1C3=C(C2)NC4=C3C=CC=C4C5=CC6=C(C=C5)C=CN=C6

DOS

IR

Vibrations