Geometry & MOs

Info

ID:	314602
PubChem CID:	126622421
Reduced:	NO4H21C25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	414.116442
ΔH_f, kcal/mol:	-96.54
Dipole, Da:	6.42
IP(EA), eV:	-9.13(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[6-(trifluoromethyl)pyridin-2-yl]-7H-purin-6-yl]amino]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(CCC(=O)O)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations