Geometry & MOs

Info

ID:	44062
PubChem CID:	10500633
Reduced:	BrClN3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	390.087016
ΔH_f, kcal/mol:	76.68
Dipole, Da:	1.62
IP(EA), eV:	-8.86(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(chloromethyl)-1,2,6'-trimethoxy-6-oxospiro[cyclohexa-1,3-diene-5,1'-indene]-5'-yl] acetate

Drug info:

PubChemData

Smile

C1CN(CCN1)C2C3=C(C=CC4=C2N=CC(=C4)Br)C=C(C=C3)Cl

DOS

IR

Vibrations