Geometry & MOs

Info

ID:

186357

PubChem CID:

77424135

Reduced:

ON5C32H37 (1)

Stoich.:

AB5C32D37 (1)

Weight, g/mol:

455.269654

ΔHf, kcal/mol:

41.08

Dipole, Da:

2.68

IP(EA), eV:

 -8.66(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-fluoro-3-methylphenyl)-1-[4-(7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)N3C4CCCNC4C5C3C(O2)CC(C5)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations