Geometry & MOs

Info

ID:	11386
PubChem CID:	114912
Reduced:	NO7C18H27 (1)
Stoich.:	AB7C18D27 (1)
Weight, g/mol:	369.178752
ΔH_f, kcal/mol:	-305.45
Dipole, Da:	3.23
IP(EA), eV:	-9.38(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dihydroxy-4-(1-hydroxyethyl)-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Drug info:

PubChemData

Smile

CC1CC(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)(C(C)O)O

DOS

IR

Vibrations