Geometry & MOs

Info

ID:	416303
PubChem CID:	135089316
Reduced:	FNOC9H12 (2)
Stoich.:	ABCD9E12 (2)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	-172.05
Dipole, Da:	4.13
IP(EA), eV:	-9.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methoxypyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)F)F

DOS

IR

Vibrations