Geometry & MOs

Info

ID:

415025

PubChem CID:

135088005

Reduced:

SO5N6C29H46 (1)

Stoich.:

AB5C6D29E46 (1)

Weight, g/mol:

374.167353

ΔHf, kcal/mol:

-228.63

Dipole, Da:

1.99

IP(EA), eV:

 -8.63(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)[C@H](C(C)C)N)CC2=CC=CC=C2

DOS

IR

Vibrations