Geometry & MOs

Info

ID:	218065
PubChem CID:	85088811
Reduced:	LiNO5H24C25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	425.158685
ΔH_f, kcal/mol:	-63.86
Dipole, Da:	18.78
IP(EA), eV:	-5.9(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-bis(3-methoxy-2-nitrophenyl)buta-1,3-dienyl]pyrrolidine

Drug info:

PubChemData

Smile

[Li+].CC1=NC(=CC=C1)[C-](C2C3C(COC(O3)C4=CC=CC=C4)OC(O2)C5=CC=CC=C5)O

DOS

IR

Vibrations