Geometry & MOs

Info

ID:	50003
PubChem CID:	11538718
Reduced:	FOSN4H19C22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	63.79
Dipole, Da:	5.13
IP(EA), eV:	-9.04(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(2S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC(=NS2)CC3=CC=C(C=C3)F)C(=O)C#CC4=CC=CC=C4

DOS

IR

Vibrations