Geometry & MOs

Info

ID:	415190
PubChem CID:	135088181
Reduced:	FN2O5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-172.6
Dipole, Da:	4.82
IP(EA), eV:	-9.36(-1.52)
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]-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)N3CCC(CC3)O)C(=O)O)F

DOS

IR

Vibrations