Geometry & MOs

Info

ID:	216547
PubChem CID:	85086400
Reduced:	BrNO2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	3.21
Dipole, Da:	3.06
IP(EA), eV:	-9.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(benzylideneamino)oxyethyl-(carboxymethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C(C(=O)OC)[N+]#[C-])Br

DOS

IR

Vibrations