Geometry & MOs

Info

ID:	289094
PubChem CID:	104335468
Reduced:	ClON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	-28.53
Dipole, Da:	6.16
IP(EA), eV:	-9.12(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]azepane

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations