Geometry & MOs

Info

ID:	129590
PubChem CID:	51073197
Reduced:	ON3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	344.083078
ΔH_f, kcal/mol:	34.25
Dipole, Da:	6.49
IP(EA), eV:	-8.31(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations