Geometry & MOs

Info

ID:

422010

PubChem CID:

135117005

Reduced:

N6O6C39H50 (1)

Stoich.:

A6B6C39D50 (1)

Weight, g/mol:

373.171417

ΔHf, kcal/mol:

-239.04

Dipole, Da:

13.29

IP(EA), eV:

 -9.18(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3,5-difluoropyridin-2-yl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone

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=C(NC(=C4C)C(=O)C)C

DOS

IR

Vibrations