Geometry & MOs

Info

ID:	419642
PubChem CID:	135108600
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	-62.2
Dipole, Da:	6.68
IP(EA), eV:	-9.16(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)N2CCCCCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations