Geometry & MOs

Info

ID:	393328
PubChem CID:	135020161
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	385.225308
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	0.84
IP(EA), eV:	-8.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (2E,6Z,11E)-7-anilinotrideca-2,6,11-trienedioate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3CC4CCN3CC4C=C)NC(=O)[C@@H]5CCCN5

DOS

IR

Vibrations