Geometry & MOs

Info

ID:	393814
PubChem CID:	135021763
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	275.094629
ΔH_f, kcal/mol:	68.84
Dipole, Da:	5.99
IP(EA), eV:	-9.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-phenacylidene-1H-quinoline-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2=CN=NN2CCCCN3C(=CN=N3)COCC4=CC=CC=C4

DOS

IR

Vibrations