Geometry & MOs

Info

ID:	418613
PubChem CID:	135106224
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	353.200237
ΔH_f, kcal/mol:	-77.94
Dipole, Da:	4.08
IP(EA), eV:	-9.22(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC(C)(C(=O)N[C@@H]1COC[C@H]1CC2=CC=NC=C2)N3CCCC3

DOS

IR

Vibrations