Geometry & MOs

Info

ID:	46008
PubChem CID:	10520378
Reduced:	NO7C15H23 (1)
Stoich.:	AB7C15D23 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-264.18
Dipole, Da:	2.79
IP(EA), eV:	-9.76(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1E,3E)-3-ethoxycarbonyl-5-propyliminopenta-1,3-dienyl]benzoate

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)[C@H]4CC(=NO4)CO)C

DOS

IR

Vibrations