Geometry & MOs

Info

ID:	298627
PubChem CID:	117652134
Reduced:	N2C7H10 (1)
Stoich.:	A2B7C10 (1)
Weight, g/mol:	499.32102
ΔH_f, kcal/mol:	53.99
Dipole, Da:	2.87
IP(EA), eV:	-7.6(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[3-[(4-butylpiperazin-1-yl)methyl]-6-fluoro-4-oxo-2,3-dihydro-1H-carbazol-9-yl]hexanoate

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1C(=C2N)N

DOS

IR

Vibrations