Geometry & MOs

Info

ID:	287463
PubChem CID:	104242797
Reduced:	SN4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	289.226646
ΔH_f, kcal/mol:	66.61
Dipole, Da:	2.19
IP(EA), eV:	-9.22(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC(=NC(=N2)C3=CSC=N3)N

DOS

IR

Vibrations