Geometry & MOs

Info

ID:	425167
PubChem CID:	135125394
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	13.98
Dipole, Da:	6.01
IP(EA), eV:	-9.17(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-oxolan-2-yl]-(6-pyridin-4-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1N2CC3=NNN=C3C(=O)C2

DOS

IR

Vibrations