Geometry & MOs

Info

ID:	287422
PubChem CID:	104241946
Reduced:	ClN2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	306.093519
ΔH_f, kcal/mol:	24.59
Dipole, Da:	1.9
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=CC(=N2)Cl)C3CCCC3)C

DOS

IR

Vibrations