Geometry & MOs

Info

ID:	418911
PubChem CID:	135107105
Reduced:	ClFN2O2C16H20 (1)
Stoich.:	ABC2D2E16F20 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-141.72
Dipole, Da:	6.33
IP(EA), eV:	-9.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)NC3=CC(=C(C=C3)F)Cl)O

DOS

IR

Vibrations