Geometry & MOs

Info

ID:	29737
PubChem CID:	836802
Reduced:	NOBr2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-39.98
Dipole, Da:	3.06
IP(EA), eV:	-9.73(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-tert-butyl-4-hydroxyphenyl) furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1=C(C=C(C=C1)Br)Br

DOS

IR

Vibrations