Geometry & MOs

Info

ID:	419857
PubChem CID:	135109442
Reduced:	ON6C22H22 (1)
Stoich.:	AB6C22D22 (1)
Weight, g/mol:	327.185924
ΔH_f, kcal/mol:	61.15
Dipole, Da:	3.71
IP(EA), eV:	-9.76(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CN=C(N=C4)C5=CC=NC=C5

DOS

IR

Vibrations