Geometry & MOs

Info

ID:	149689
PubChem CID:	53789363
Reduced:	BrCl3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	182.069142
ΔH_f, kcal/mol:	-135.3
Dipole, Da:	3.25
IP(EA), eV:	-9.03(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyimino-2-(1-methylpyrrol-2-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCCOC(=O)C2=CC=C(C=C2)Br)Cl)OCC=C(Cl)Cl

DOS

IR

Vibrations