Geometry & MOs

Info

ID:	411360
PubChem CID:	135084183
Reduced:	NO2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	5.97
Dipole, Da:	3.55
IP(EA), eV:	-9.18(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(3-bromophenyl)ethylideneamino] acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CC=[N+](C=C2)[O-]

DOS

IR

Vibrations