Geometry & MOs

Info

ID:	311375
PubChem CID:	126591231
Reduced:	NO7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-279.24
Dipole, Da:	3.81
IP(EA), eV:	-8.93(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,9Z)-5,9,11-trimethyl-1-azacycloundeca-3,6,9-trien-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(C=C2)N[C@@H]3C(OC([C@H](C3O)O)CO)CO)OC1=O

DOS

IR

Vibrations