Geometry & MOs

Info

ID:	279980
PubChem CID:	103846063
Reduced:	BrNOC7H8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	246.98441
ΔH_f, kcal/mol:	14.17
Dipole, Da:	1.79
IP(EA), eV:	-9.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-3-(3-bromofuran-2-yl)propanoate

Drug info:

PubChemData

Smile

C=CC(C1=C(OC=C1)Br)N

DOS

IR

Vibrations