Geometry & MOs

Info

ID:

420322

PubChem CID:

135112483

Reduced:

N3O4C19H24 (2)

Stoich.:

A3B4C19D24 (2)

Weight, g/mol:

378.18559

ΔHf, kcal/mol:

-307.77

Dipole, Da:

4.01

IP(EA), eV:

 -8.93(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-[[5-(2-fluorophenyl)furan-2-yl]methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC(=C5O4)C)O

DOS

IR

Vibrations