Geometry & MOs

Info

ID:	417424
PubChem CID:	135093630
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	331.178358
ΔH_f, kcal/mol:	-83.09
Dipole, Da:	2.68
IP(EA), eV:	-9.27(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-5-yl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations