Geometry & MOs

Info

ID:	194377
PubChem CID:	78525861
Reduced:	BrNO4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	383.01168
ΔH_f, kcal/mol:	-103.85
Dipole, Da:	3.75
IP(EA), eV:	-9.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-amino-1-methyl-2,4-dioxo-1,3-diazinan-5-yl)-2-oxoethyl] 2-bromobenzoate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations