Geometry & MOs

Info

ID:

439537

PubChem CID:

135229313

Reduced:

FO2N9C22H26 (1)

Stoich.:

AB2C9D22E26 (1)

Weight, g/mol:

472.245898

ΔHf, kcal/mol:

36.75

Dipole, Da:

0.88

IP(EA), eV:

 -8.21(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[[1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-yl]amino]-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CC(=C1)N2C=NC3=C(N=C(N=C32)N4CC(C(C4)F)NC(=O)C=C)NC5=CN(N=C5OC)C

DOS

IR

Vibrations