Geometry & MOs

Info

ID:	422306
PubChem CID:	135117611
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	347.173273
ΔH_f, kcal/mol:	43.16
Dipole, Da:	3.78
IP(EA), eV:	-9.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-5-yl-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)CN3C[C@H]([C@@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations