Geometry & MOs

Info

ID:	421688
PubChem CID:	135116429
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	327.185924
ΔH_f, kcal/mol:	-194.21
Dipole, Da:	5.63
IP(EA), eV:	-9.54(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C)O

DOS

IR

Vibrations