Geometry & MOs

Info

ID:	287423
PubChem CID:	104241948
Reduced:	ClFON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	302.118591
ΔH_f, kcal/mol:	-41.4
Dipole, Da:	2.51
IP(EA), eV:	-9.04(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-cyclopentyl-2-[4-(methoxymethyl)phenyl]pyrimidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC(=CC(=N2)Cl)C3CCCC3)F

DOS

IR

Vibrations