Geometry & MOs

Info

ID:	447667
PubChem CID:	135284569
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	398.187339
ΔH_f, kcal/mol:	48.67
Dipole, Da:	3.64
IP(EA), eV:	-9.17(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-chloro-4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]-2,4-dimethylpentan-1-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CN=C2N=C1C)C3=CC(=C(C=C3)OC[C@](C)(CC(C)C)N)C#N

DOS

IR

Vibrations