Geometry & MOs

Info

ID:

189809

PubChem CID:

77907034

Reduced:

N2O3F6C31H32 (1)

Stoich.:

A2B3C6D31E32 (1)

Weight, g/mol:

390.155272

ΔHf, kcal/mol:

-400.13

Dipole, Da:

9.85

IP(EA), eV:

 -8.98(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-6-[[2-hydroxy-1-(4-oxo-3-phenyl-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(CCC(C2)(C)C)C3=C(C=CC(=C3)CCC#N)OC)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations