Geometry & MOs

Info

ID:	419858
PubChem CID:	135109444
Reduced:	FN5C18H22 (1)
Stoich.:	AB5C18D22 (1)
Weight, g/mol:	367.171834
ΔH_f, kcal/mol:	20.35
Dipole, Da:	4.74
IP(EA), eV:	-8.66(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C4=C(C=NC=C4)F

DOS

IR

Vibrations