Geometry & MOs

Info

ID:	129899
PubChem CID:	51074224
Reduced:	N3O3H13C18 (1)
Stoich.:	A3B3C13D18 (1)
Weight, g/mol:	333.104874
ΔH_f, kcal/mol:	2.28
Dipole, Da:	1.78
IP(EA), eV:	-8.93(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethyl)propanamide

Drug info:

PubChemData

Smile

C1C(=O)NC2=CC=CC=C2N1C(=O)C3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations