Geometry & MOs

Info

ID:	416706
PubChem CID:	135090139
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-123.9
Dipole, Da:	4.73
IP(EA), eV:	-8.84(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)N2CCC[C@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations