Geometry & MOs

Info

ID:	423788
PubChem CID:	135120221
Reduced:	NSO4C18H25 (1)
Stoich.:	ABC4D18E25 (1)
Weight, g/mol:	341.18025
ΔH_f, kcal/mol:	-171.84
Dipole, Da:	6.25
IP(EA), eV:	-9.32(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[[3-(difluoromethoxy)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)C)O

DOS

IR

Vibrations