Geometry & MOs

Info

ID:	421798
PubChem CID:	135116634
Reduced:	NSO3C24H29 (1)
Stoich.:	ABC3D24E29 (1)
Weight, g/mol:	315.219829
ΔH_f, kcal/mol:	-80.57
Dipole, Da:	7.79
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(3-propan-2-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)CC3=CC=CC=C3CS(=O)(=O)C4=CC=CC=C4)OCC1

DOS

IR

Vibrations