Geometry & MOs

Info

ID:	186980
PubChem CID:	77510466
Reduced:	FCl2O2N4C30H31 (1)
Stoich.:	AB2C2D4E30F31 (1)
Weight, g/mol:	345.16079
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	5.8
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=CC2=CC=C(C=C2)F)C3=C(CC1)C(=NN3C4=C(C=C(C=C4)Cl)Cl)OC(=O)NN5CC6CCCC6C5

DOS

IR

Vibrations