Geometry & MOs

Info

ID:	416486
PubChem CID:	135089501
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	342.18559
ΔH_f, kcal/mol:	-108.68
Dipole, Da:	3.66
IP(EA), eV:	-9.51(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(4-fluoro-2-methoxyphenyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations