Geometry & MOs

Info

ID:	48528
PubChem CID:	11078697
Reduced:	BrN2O2H9C17 (1)
Stoich.:	AB2C2D9E17 (1)
Weight, g/mol:	354.121572
ΔH_f, kcal/mol:	18.56
Dipole, Da:	4.58
IP(EA), eV:	-9.64(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-ethoxy-3-[2-[(3-methoxyphenyl)methoxy]phenyl]-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC3=NC4=CC=CC(=C4N=C23)C(=O)O)C(=C1)Br

DOS

IR

Vibrations