Geometry & MOs

Info

ID:	186977
PubChem CID:	77510230
Reduced:	NCl3O7C28H50 (1)
Stoich.:	AB3C7D28E50 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-377.41
Dipole, Da:	6.21
IP(EA), eV:	-9.81(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-(2-ethyl-4-methoxyphenyl)-7-methyl-5-propan-2-yl-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CCCCCCOC1C(OC(C(C1OCCCCCC)OCCCCCC)OC(=N)C(Cl)(Cl)Cl)COC(=O)C

DOS

IR

Vibrations