Geometry & MOs

Info

ID:

439538

PubChem CID:

135229314

Reduced:

FO2N10C21H29 (1)

Stoich.:

AB2C10D21E29 (1)

Weight, g/mol:

498.261548

ΔHf, kcal/mol:

18.1

Dipole, Da:

3.95

IP(EA), eV:

 -8.28(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[7-ethyl-4-[[3-methoxy-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CN=C2N1N=C(N=C2NC3=CN(N=C3OC)CCN(C)C)N4CC(C(C4)F)NC(=O)C=C

DOS

IR

Vibrations