Geometry & MOs

Info

ID:	287460
PubChem CID:	104242743
Reduced:	ClN3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	255.148396
ΔH_f, kcal/mol:	26.31
Dipole, Da:	3.88
IP(EA), eV:	-9.34(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-2-(5-methylpyrimidin-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC(=NC(=N2)CC3=CC(=CC=C3)Cl)N

DOS

IR

Vibrations