Geometry & MOs

Info

ID:	145978
PubChem CID:	53620611
Reduced:	ClON2H7C10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	343.119988
ΔH_f, kcal/mol:	59.17
Dipole, Da:	3.04
IP(EA), eV:	-9.54(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-chloroquinolin-8-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

Drug info:

PubChemData

Smile

C=CC1=NC(=NO1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations