Geometry & MOs

Info

ID:	229724
PubChem CID:	87568666
Reduced:	BrPF2N2O4C25H30 (1)
Stoich.:	ABC2D2E4F25G30 (1)
Weight, g/mol:	265.204179
ΔH_f, kcal/mol:	-307.87
Dipole, Da:	4.96
IP(EA), eV:	-8.47(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dihydropyrrol-1-yl)dodecane-1,3-dione

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)CCNC(=O)CCCC2=CNC3=CC=CC=C32)Br)(F)F)O

DOS

IR

Vibrations