Geometry & MOs

Info

ID:	271968
PubChem CID:	103707310
Reduced:	BrFON4H8C10 (1)
Stoich.:	ABCD4E8F10 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-7.34
Dipole, Da:	4.26
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-cyclobutylacetyl)-ethylamino]acetate

Drug info:

PubChemData

Smile

CC1=NC(=NN1)NC(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations