Geometry & MOs

Info

ID:	186970
PubChem CID:	77509611
Reduced:	N2O6C33H34 (1)
Stoich.:	A2B6C33D34 (1)
Weight, g/mol:	405.161933
ΔH_f, kcal/mol:	-164.69
Dipole, Da:	8.1
IP(EA), eV:	-8.21(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butan-2-yl-2-(2-chloro-5-fluoro-4-methoxyphenyl)-3-cyclopropyl-7-methyl-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CCCCCOC1=CC2=C(C=C1)C=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)OCCOC(=O)C4=CC(=CC(=C4)N)N

DOS

IR

Vibrations