Geometry & MOs

Info

ID:	343520
PubChem CID:	127266693
Reduced:	ON7C18H19 (1)
Stoich.:	AB7C18D19 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	104.12
Dipole, Da:	11.31
IP(EA), eV:	-8.67(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-(3-pyrimidin-2-yloxypropylamino)pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=CN1)N3CCC(C3)N(C)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations