Geometry & MOs

Info

ID:

417249

PubChem CID:

135091792

Reduced:

N5O7C37H51 (1)

Stoich.:

A5B7C37D51 (1)

Weight, g/mol:

374.221895

ΔHf, kcal/mol:

-283.8

Dipole, Da:

9.7

IP(EA), eV:

 -8.93(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-6-[4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)piperazin-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations