Geometry & MOs

Info

ID:	209914
PubChem CID:	80739223
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	278.057053
ΔH_f, kcal/mol:	0.79
Dipole, Da:	3.34
IP(EA), eV:	-9.52(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]acetamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1OC2=CC(=NC(=N2)N)Cl

DOS

IR

Vibrations