Geometry & MOs

Info

ID:	343504
PubChem CID:	127266677
Reduced:	OF3N7H12C13 (1)
Stoich.:	AB3C7D12E13 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-85.4
Dipole, Da:	7.8
IP(EA), eV:	-9.75(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-[2-(6-oxopyrimidin-1-yl)ethylamino]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(=C1)NCCN3C=NC=CC3=O)C(F)(F)F

DOS

IR

Vibrations