Geometry & MOs

Info

ID:	193429
PubChem CID:	78394426
Reduced:	ClN2O3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	410.223238
ΔH_f, kcal/mol:	-26.28
Dipole, Da:	8.42
IP(EA), eV:	-8.34(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CNNC2=C3C=CC(=CC3=O)OCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations