Geometry & MOs

Info

ID:	206235
PubChem CID:	80222170
Reduced:	ClION3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	265.017353
ΔH_f, kcal/mol:	18.65
Dipole, Da:	7.13
IP(EA), eV:	-9.28(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(5-chloropyridin-2-yl)-6-cyclopropylpyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=O)N=C(N1)C2=NC=C(C=C2)Cl)I

DOS

IR

Vibrations