Geometry & MOs

Info

ID:	144945
PubChem CID:	53435516
Reduced:	O3C8H13 (1)
Stoich.:	A3B8C13 (1)
Weight, g/mol:	389.235479
ΔH_f, kcal/mol:	-95.68
Dipole, Da:	3.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.780981
Charge, e:	0

Chem-info

IUPAC name:

1-(7-butanoyl-9H-fluoren-2-yl)-4-piperidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CCC(C(=O)C(C)C)C(=O)[O-]

DOS

IR

Vibrations