Geometry & MOs

Info

ID:	405709
PubChem CID:	135075146
Reduced:	KO3H9C14 (1)
Stoich.:	AB3C9D14 (1)
Weight, g/mol:	345.02119
ΔH_f, kcal/mol:	-103.41
Dipole, Da:	11.31
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(Z)-C-(bromomethyl)-N-hydroxycarbonimidoyl]-4,5-dimethoxyphenyl]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations