Geometry & MOs

Info

ID:	391675
PubChem CID:	135008186
Reduced:	IOSe2N3C38H41 (1)
Stoich.:	ABC2D3E38F41 (1)
Weight, g/mol:	386.164185
ΔH_f, kcal/mol:	89.19
Dipole, Da:	3.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.676952
Charge, e:	0

Chem-info

IUPAC name:

diethyl (E)-2-[2-benzyl-2-(4-fluorophenyl)hydrazinyl]but-2-enedioate

Drug info:

PubChemData

Smile

CCCCCCN1C2=CC=CC=C2[Se]C1=CC3=C(C(=CC4=[N+](C5=CC=CC=C5[Se]4)CCCCCC)C3=O)NC6=CC(=CC=C6)I

DOS

IR

Vibrations