Geometry & MOs

Info

ID:	289091
PubChem CID:	104335439
Reduced:	ClON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	8.25
Dipole, Da:	5.56
IP(EA), eV:	-8.73(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations