Geometry & MOs

Info

ID:	7549
PubChem CID:	73360
Reduced:	NO5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-161.92
Dipole, Da:	3.92
IP(EA), eV:	-8.86(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol

Drug info:

PubChemData

Smile

CN1C[C@H]2[C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4[C@@H](O2)O)OCO5

DOS

IR

Vibrations