Geometry & MOs

Info

ID:	232590
PubChem CID:	87576473
Reduced:	PC26H35 (2)
Stoich.:	AB26C35 (2)
Weight, g/mol:	481.098486
ΔH_f, kcal/mol:	-93.71
Dipole, Da:	1.3
IP(EA), eV:	-8.05(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3P(CC4=C(C5=CC=CC=C5C=C4)CP(C6C7CC8CC(C7)CC6C8)C9C1CC2CC(C1)CC9C2)C1C2CC3CC(C2)CC1C3

DOS

IR

Vibrations