Geometry & MOs

Info

ID:	342514
PubChem CID:	127265669
Reduced:	FON2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	302.149124
ΔH_f, kcal/mol:	-34.11
Dipole, Da:	4.41
IP(EA), eV:	-9.64(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C=CC2=NC=CC(=O)N2

DOS

IR

Vibrations