Geometry & MOs

Info

ID:

427667

PubChem CID:

135161071

Reduced:

PO3N8C25H27 (1)

Stoich.:

AB3C8D25E27 (1)

Weight, g/mol:

427.254752

ΔHf, kcal/mol:

59.91

Dipole, Da:

4.97

IP(EA), eV:

 -8.78(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(Z)-1-amino-3-[(2-fluorophenyl)methylimino]pent-1-enyl]-5-fluoro-N-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C3C=CC(=NC3=N2)N(CC(C4=CN(N=C4)C)O)C5=C(C(=CC(=C5)OC)OC)P

DOS

IR

Vibrations