Geometry & MOs

Info

ID:	287413
PubChem CID:	104241624
Reduced:	BrClN2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	354.98872
ΔH_f, kcal/mol:	-7.63
Dipole, Da:	2.19
IP(EA), eV:	-9.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-6-cyclopentyl-2-(5-fluoropyridin-2-yl)pyrimidine

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C2=NC(=C(C(=N2)Cl)Br)C3CCCC3

DOS

IR

Vibrations