Geometry & MOs

Info

ID:	289112
PubChem CID:	104336315
Reduced:	ClOSN3C12H14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	313.166938
ΔH_f, kcal/mol:	11.65
Dipole, Da:	3.02
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC(C1=CSC=C1)NC2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations