Geometry & MOs

Info

ID:	183805
PubChem CID:	77072269
Reduced:	BrO2N4C10H11 (1)
Stoich.:	AB2C4D10E11 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	6.28
IP(EA), eV:	-9.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-butyl-5-(2-cyclopropylethylamino)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CC2=CN=C(C=C2)N)Br

DOS

IR

Vibrations