Geometry & MOs

Info

ID:	421139
PubChem CID:	135115436
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	323.220892
ΔH_f, kcal/mol:	-58.51
Dipole, Da:	1.82
IP(EA), eV:	-9.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methyl-9-[(1,4,5-trimethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1C[C@H]([C@H](C1)O)CC2=CC=NC3=CC=CC=C23)N

DOS

IR

Vibrations