Geometry & MOs

Info

ID:	419909
PubChem CID:	135109695
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	408.171893
ΔH_f, kcal/mol:	6.87
Dipole, Da:	2.98
IP(EA), eV:	-8.65(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN2CCC(CC2)OCC3=CC=CC=N3

DOS

IR

Vibrations