Geometry & MOs

Info

ID:	398707
PubChem CID:	135034953
Reduced:	ClON2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	350.01537
ΔH_f, kcal/mol:	-5.44
Dipole, Da:	2.31
IP(EA), eV:	-8.51(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-methoxy-6-(phenylmethoxymethyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC1=CC\2=C(C=C1)NC(=O)/C2=C\C(=CN)Cl

DOS

IR

Vibrations