Geometry & MOs

Info

ID:	417058
PubChem CID:	135091236
Reduced:	O6N7C31H45 (1)
Stoich.:	A6B7C31D45 (1)
Weight, g/mol:	329.235479
ΔH_f, kcal/mol:	-262.02
Dipole, Da:	3.6
IP(EA), eV:	-8.65(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,4,6-trimethylphenyl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)N)O)CC(C)C)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations