Geometry & MOs

Info

ID:	159654
PubChem CID:	57288588
Reduced:	NOBr2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	10.03
Dipole, Da:	4.42
IP(EA), eV:	-9.84(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-diaminophenyl) acetate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Br)C#N)Br

DOS

IR

Vibrations