Geometry & MOs

Info

ID:	140285
PubChem CID:	52675740
Reduced:	BrFON2C15H22 (1)
Stoich.:	ABCD2E15F22 (1)
Weight, g/mol:	352.234865
ΔH_f, kcal/mol:	-88.17
Dipole, Da:	4.02
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCN(CCC)CCC(=O)NC1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations