Geometry & MOs

Info

ID:	221128
PubChem CID:	85256931
Reduced:	Br2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	-12.53
Dipole, Da:	3.74
IP(EA), eV:	-9.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-amino-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(C(CC=C1)Br)Br

DOS

IR

Vibrations