Geometry & MOs

Info

ID:	423783
PubChem CID:	135120211
Reduced:	FO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	7.08
IP(EA), eV:	-8.45(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-(3-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(N1)C=CC(=C2)F)CC3=CC(=O)C(=CN3)OC

DOS

IR

Vibrations