Geometry & MOs

Info

ID:	181917
PubChem CID:	76813388
Reduced:	NOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	466.157182
ΔH_f, kcal/mol:	25.42
Dipole, Da:	3.32
IP(EA), eV:	-8.63(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-5-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine

Drug info:

PubChemData

Smile

CC1=C(C2C=CC=CC2=NC1=C)O

DOS

IR

Vibrations