Geometry & MOs

Info

ID:

439531

PubChem CID:

135229307

Reduced:

NC6H11 (4)

Stoich.:

AB6C11 (4)

Weight, g/mol:

484.245898

ΔHf, kcal/mol:

17.62

Dipole, Da:

1.09

IP(EA), eV:

 -7.92(1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,4R)-4-fluoro-1-[4-[[3-methoxy-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(C(C1)CC(C)N2CCN(CC2)CC#C)CC3CCCCC3

DOS

IR

Vibrations