Geometry & MOs

Info

ID:	343540
PubChem CID:	127266713
Reduced:	F3N6C14H17 (1)
Stoich.:	A3B6C14D17 (1)
Weight, g/mol:	332.159689
ΔH_f, kcal/mol:	-76.1
Dipole, Da:	6.33
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methylamino]-4-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)N

DOS

IR

Vibrations