Geometry & MOs

Info

ID:	79756
PubChem CID:	49830267
Reduced:	ON2H13C15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	343.119988
ΔH_f, kcal/mol:	59.22
Dipole, Da:	4.45
IP(EA), eV:	-8.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC=CC3=C2N=C(N=C3NCC4=CC=CC=C4)N5CCOC6=CC=CC=C65

DOS

IR

Vibrations