Geometry & MOs

Info

ID:	140897
PubChem CID:	52779696
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	432.08487
ΔH_f, kcal/mol:	-101.39
Dipole, Da:	6.11
IP(EA), eV:	-8.84(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-4-[4-(4-fluoroanilino)piperidin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNC(=O)NC[C@H]1CCCCN1CC2=CC=CC=C2

DOS

IR

Vibrations