Geometry & MOs

Info

ID:	9344
PubChem CID:	88138
Reduced:	NO2Br3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	426.82412
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	5.53
IP(EA), eV:	-9.07(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-2,4,6-tribromophenyl)methylidene]butanoic acid

Drug info:

PubChemData

Smile

CCC(=CC1=C(C(=C(C=C1Br)Br)N)Br)C(=O)O

DOS

IR

Vibrations