Geometry & MOs

Info

ID:	211397
PubChem CID:	80944205
Reduced:	ON5C12H23 (1)
Stoich.:	AB5C12D23 (1)
Weight, g/mol:	273.103275
ΔH_f, kcal/mol:	-16.93
Dipole, Da:	3.85
IP(EA), eV:	-8.86(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-2-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline

Drug info:

PubChemData

Smile

CCOCCCNC1=C(C(=NC=N1)NN)C(C)C

DOS

IR

Vibrations