Geometry & MOs

Info

ID:	434893
PubChem CID:	135175928
Reduced:	ClFSN4H16C19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	346.166585
ΔH_f, kcal/mol:	56.18
Dipole, Da:	4.2
IP(EA), eV:	-8.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=C3C=C(C(=C(C3=NS2)F)C4=CNC5=CC=CC=C54)Cl

DOS

IR

Vibrations