Geometry & MOs

Info

ID:	416177
PubChem CID:	135089186
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	352.179835
ΔH_f, kcal/mol:	-1.55
Dipole, Da:	5.82
IP(EA), eV:	-8.91(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=CC=C(C=C3)OCCN4C=CN=C4

DOS

IR

Vibrations