Geometry & MOs

Info

ID:

444407

PubChem CID:

135262324

Reduced:

OF2N8H18C24 (1)

Stoich.:

AB2C8D18E24 (1)

Weight, g/mol:

457.183793

ΔHf, kcal/mol:

37.21

Dipole, Da:

3.59

IP(EA), eV:

 -9.11(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[2-[6-(difluoromethyl)pyridin-2-yl]-4-[(3-fluoropyridin-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNC(=O)C2=C(C=CN=C2)NC3=NC(=NN4C3=CC=C4)C5=NC(=CC=C5)C(F)F

DOS

IR

Vibrations