Geometry & MOs

Info

ID:	444414
PubChem CID:	135262334
Reduced:	SO3N6C27H28 (1)
Stoich.:	AB3C6D27E28 (1)
Weight, g/mol:	319.106925
ΔH_f, kcal/mol:	44.94
Dipole, Da:	2.64
IP(EA), eV:	-8.31(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxypyrimidin-4-yl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2COC3=CC=CC=C3O2)C4=NSN=C4NC5=C(N=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations