Geometry & MOs

Info

ID:	393864
PubChem CID:	135021840
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-186.49
Dipole, Da:	2.09
IP(EA), eV:	-9.17(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5aR,8aR,8bS)-4-cyclopropyl-2,2,7-trimethyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-e][1,3]benzoxazole

Drug info:

PubChemData

Smile

CC1=C2[C@H]3[C@H]([C@H]([C@H]4[C@@H](C3=CCC1)OC(O4)(C)C)NC(=O)C)OC2=O

DOS

IR

Vibrations