Geometry & MOs

Info

ID:	398689
PubChem CID:	135034817
Reduced:	NO5C19H28 (2)
Stoich.:	AB5C19D28 (2)
Weight, g/mol:	193.045153
ΔH_f, kcal/mol:	-486.7
Dipole, Da:	5.28
IP(EA), eV:	-8.75(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,6-difluoropyridin-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCC1=CC(=C(C=C1)O)CN(CCN(CC2=C(C=CC(=C2)CCC(=O)O)O)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations