Geometry & MOs

Info

ID:	409567
PubChem CID:	135082349
Reduced:	ClP2H15C19 (4)
Stoich.:	AB2C15D19 (4)
Weight, g/mol:	271.063616
ΔH_f, kcal/mol:	215.28
Dipole, Da:	21.74
IP(EA), eV:	-6.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6-amino-2-chloropurin-9-yl)-1-fluorocyclobutyl]methanol

Drug info:

Smile

C1=CC=C(C=C1)P(=C2P3C(=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)P(C(P2Cl)(P(C3=P(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)Cl)P(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl)Cl)(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations