Geometry & MOs

Info

ID:	237564
PubChem CID:	92719762
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-104.03
Dipole, Da:	3.63
IP(EA), eV:	-8.36(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3S)-1-(3-phenoxypyrazin-2-yl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC=CN=C2OC3=CC=CC=C3)C(=O)N4CCC5(CC4)OCCO5

DOS

IR

Vibrations