Geometry & MOs

Info

ID:	59871
PubChem CID:	24901196
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	242.976631
ΔH_f, kcal/mol:	-130.66
Dipole, Da:	8.89
IP(EA), eV:	-8.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(2-chloro-5-fluoropyridin-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2CCC(CC2)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations