Geometry & MOs

Info

ID:	216485
PubChem CID:	85086305
Reduced:	BrO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	275.102982
ΔH_f, kcal/mol:	-67.54
Dipole, Da:	2.54
IP(EA), eV:	-10.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)methoxyimino-oxido-pyrrolidin-1-ylazanium

Drug info:

PubChemData

Smile

CCCCC(=C1C(=O)C=CC1(C)OC)Br

DOS

IR

Vibrations