Geometry & MOs

Info

ID:	312101
PubChem CID:	126603229
Reduced:	FN3O6C23H24 (1)
Stoich.:	AB3C6D23E24 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-275.58
Dipole, Da:	7.01
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S)-9-(azetidin-1-yl)-5-methoxy-4,4a,7-trimethyl-3-phenylmethoxy-7,8,8a,9-tetrahydro-4H-benzo[f][1,2]benzoxazole

Drug info:

PubChemData

Smile

C1CC(NC1)C2=CC(=C3C(=C2F)C[C@H]4C[C@@H]5[C@H](C(=O)C4=C3O)C(=O)C(=C([C@H]5N)O)C(=O)N)O

DOS

IR

Vibrations