Geometry & MOs

Info

ID:	226541
PubChem CID:	87457851
Reduced:	O2H13C22 (2)
Stoich.:	A2B13C22 (2)
Weight, g/mol:	314.013744
ΔH_f, kcal/mol:	21.14
Dipole, Da:	0.58
IP(EA), eV:	-8.77(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dichloropyrimidin-4-yl)amino]-3-(fluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C24)C(=CC=C3)OC(=O)C5=CC=C(C=C5)C(=O)OC6=CC=CC7=C6C8=CC=CC=C8C9=CC=CC=C79

DOS

IR

Vibrations