Geometry & MOs

Info

ID:	417781
PubChem CID:	135102760
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-26.26
Dipole, Da:	2.79
IP(EA), eV:	-8.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=NC(=N2)N)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations