Geometry & MOs

Info

ID:	184551
PubChem CID:	77175037
Reduced:	SO5N6C26H30 (1)
Stoich.:	AB5C6D26E30 (1)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	4.27
IP(EA), eV:	-8.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,3-dihydro-1-benzofuran-7-yl)-3,4-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C2=CC=C3N2N=C(N=C3)NC4=C(C=C(C=C4)C5(CCNCC5O)O)OC)S(=O)(=O)C

DOS

IR

Vibrations