Geometry & MOs

Info

ID:	15445
PubChem CID:	442156
Reduced:	NO5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	-164.76
Dipole, Da:	3.93
IP(EA), eV:	-8.76(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,10S)-3-hydroxy-4,11,12-trimethoxy-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(CC[C@@]34[C@@]2(CCN3)CC(=O)C(=C4OC)OC)C=C1)O

DOS

IR

Vibrations