Geometry & MOs

Info

ID:	58997
PubChem CID:	24770187
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-155.17
Dipole, Da:	3.42
IP(EA), eV:	-8.54(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7S,9R,12R)-7-methoxy-12-phenyl-8,11,13-trioxa-3,4-diazatricyclo[7.4.0.02,6]trideca-2(6),4-diene

Drug info:

PubChemData

Smile

CN(C)/C=C/1\[C@H](O[C@@H]2CO[C@H](O[C@H]2C1=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations