Geometry & MOs

Info

ID:	426076
PubChem CID:	135136351
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	346.088434
ΔH_f, kcal/mol:	37.11
Dipole, Da:	3.87
IP(EA), eV:	-9.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z,2E)-5-(3-chloro-5-fluoroquinolin-6-yl)-2-ethylidene-4-(methylideneamino)pent-3-enoate

Drug info:

PubChemData

Smile

CN1C(=CCC[C@@H](C1=O)NC(=O)C2=NN(C=N2)CC3=CC=CC=C3)C=N

DOS

IR

Vibrations