Geometry & MOs

Info

ID:	396730
PubChem CID:	135029102
Reduced:	N2C21H22 (1)
Stoich.:	A2B21C22 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	144.48
Dipole, Da:	1.56
IP(EA), eV:	-8.34(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(2-azidoprop-2-enyl)-2-[(2E,4E)-5-phenylpenta-2,4-dienyl]propanedioate

Drug info:

PubChemData

Smile

C1CN(C[C@@H]2[C@@]13CN3[C@@H](C=C2)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations