Geometry & MOs

Info

ID:	313305
PubChem CID:	126613670
Reduced:	ClN3H18C21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	366.183109
ΔH_f, kcal/mol:	105.94
Dipole, Da:	2.12
IP(EA), eV:	-9.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-(butanoyloxymethyl)fluoren-9-yl]methyl butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=CCC2=NC(=CC=C2)CC=NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations