Geometry & MOs

Info

ID:	421554
PubChem CID:	135116198
Reduced:	ON4C23H32 (1)
Stoich.:	AB4C23D32 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-8.02
Dipole, Da:	4.94
IP(EA), eV:	-8.62(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-3-phenoxypropan-1-one

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C=C(C=N2)CN(C)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations