Geometry & MOs

Info

ID:	422277
PubChem CID:	135117548
Reduced:	NSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-65.54
Dipole, Da:	4.89
IP(EA), eV:	-9.09(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C(=CC=C2)C(=O)N3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations