Geometry & MOs

Info

ID:

427967

PubChem CID:

135165608

Reduced:

ClFO3N5C24H25 (1)

Stoich.:

ABC3D5E24F25 (1)

Weight, g/mol:

483.183731

ΔHf, kcal/mol:

-91.48

Dipole, Da:

1.98

IP(EA), eV:

 -9.08(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-1-(cyclopropylmethyl)-7-(2-fluoro-6-methylphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-3,4-dihydropyrido[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CCN(CC1)C2C3=C(N/C(=C/4\C(=O)C=CC=C4F)/C(=C3)Cl)N(C(=O)N2)CC5CC5

DOS

IR

Vibrations