Geometry & MOs

Info

ID:	289120
PubChem CID:	104336755
Reduced:	ClOSN3C12H14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	273.124405
ΔH_f, kcal/mol:	10.9
Dipole, Da:	3.5
IP(EA), eV:	-9.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC1=CSC=C1CNC2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations