Geometry & MOs

Info

ID:	126632
PubChem CID:	50970913
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	267.057468
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	8.34
IP(EA), eV:	-8.73(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CN2C=C(C(=O)C(=C2)OC3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations