Geometry & MOs

Info

ID:	395439
PubChem CID:	135025463
Reduced:	N2C23H34 (1)
Stoich.:	A2B23C34 (1)
Weight, g/mol:	716.381195
ΔH_f, kcal/mol:	37.63
Dipole, Da:	2.78
IP(EA), eV:	-7.94(0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[6-(diethylamino)-9-[2-[4-[3-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)propyl]piperazine-1-carbonyl]phenyl]xanthen-3-ylidene]-diethylazanium

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C#CCN(C2CCCCC2)C3CCCCC3

DOS

IR

Vibrations