Geometry & MOs

Info

ID:	447661
PubChem CID:	135284529
Reduced:	ClFON4H12C13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	359.151288
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	4.29
IP(EA), eV:	-9.63(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3-chloro-5-pyrazolo[1,5-a]pyrimidin-7-ylpyridin-2-yl)oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

C1COCC1NC2=NC=NC(=C2)C3=CC(=C(N=C3)F)Cl

DOS

IR

Vibrations