Geometry & MOs

Info

ID:

418965

PubChem CID:

135107228

Reduced:

N5O6C35H43 (1)

Stoich.:

A5B6C35D43 (1)

Weight, g/mol:

409.264174

ΔHf, kcal/mol:

-199.13

Dipole, Da:

3.98

IP(EA), eV:

 -9.34(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CC=CO4

DOS

IR

Vibrations