Geometry & MOs

Info

ID:	184555
PubChem CID:	77175145
Reduced:	NOC6H7 (6)
Stoich.:	ABC6D7 (6)
Weight, g/mol:	278.057053
ΔH_f, kcal/mol:	-166.92
Dipole, Da:	3.22
IP(EA), eV:	-9.19(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-(6-methoxypyridin-3-yl)-3,4-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1C2C1CN(C2)C3=NC(=NC(=C3)C(=O)NC(C(C)C)C(=O)N4CCN(CC4)C(=O)OCC5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations