Geometry & MOs

Info

ID:	209984
PubChem CID:	80747263
Reduced:	ClON5C14H24 (1)
Stoich.:	ABC5D14E24 (1)
Weight, g/mol:	313.166938
ΔH_f, kcal/mol:	-8.83
Dipole, Da:	3.47
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]pentan-1-amine

Drug info:

PubChemData

Smile

CC(CN)CN1CCCN(CC1)C2=NC(=NC=C2Cl)OC

DOS

IR

Vibrations