Geometry & MOs

Info

ID:	180028
PubChem CID:	76568693
Reduced:	O2F3N6H21C23 (1)
Stoich.:	A2B3C6D21E23 (1)
Weight, g/mol:	477.223686
ΔH_f, kcal/mol:	-127.2
Dipole, Da:	9.21
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(2-tert-butylpurin-8-ylidene)-1,2-oxazol-5-yl]ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=CC(=C1)OC2=CC3=C(C=C2)N(C(=N3)NC4=CC=CC(=C4)C(F)(F)F)C)N

DOS

IR

Vibrations