Geometry & MOs

Info

ID:	172276
PubChem CID:	75487576
Reduced:	BrClN3H5C6 (1)
Stoich.:	ABC3D5E6 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	46.05
Dipole, Da:	4.84
IP(EA), eV:	-9.7(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Drug info:

PubChemData

Smile

C1=CN2C=C(C=NC2=N1)Br.Cl

DOS

IR

Vibrations