Geometry & MOs

Info

ID:	130906
PubChem CID:	51125818
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	457.00958
ΔH_f, kcal/mol:	37.32
Dipole, Da:	3.08
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile;hydrobromide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2NC(=O)NC3(CCC3)C4=CC=CC=C4)C

DOS

IR

Vibrations