Geometry & MOs

Info

ID:	414436
PubChem CID:	135087394
Reduced:	ON2S2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	298.159375
ΔH_f, kcal/mol:	-17.09
Dipole, Da:	4.22
IP(EA), eV:	-8.97(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(3-fluoropyridin-2-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

C1CSCC(CS1)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations