Geometry & MOs

Info

ID:	210563
PubChem CID:	80823497
Reduced:	ClN5C14H14 (1)
Stoich.:	AB5C14D14 (1)
Weight, g/mol:	256.108402
ΔH_f, kcal/mol:	87.36
Dipole, Da:	5.18
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-2-oxoethyl)-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]acetamide

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)N(C)C2=CC=C(C=C2)C#N)Cl

DOS

IR

Vibrations