Geometry & MOs

Info

ID:	210035
PubChem CID:	80753407
Reduced:	OCl2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	289.109423
ΔH_f, kcal/mol:	-15.92
Dipole, Da:	2.04
IP(EA), eV:	-8.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(CC1CC(C1)Cl)C2=NC(=NC=C2Cl)OC

DOS

IR

Vibrations