Geometry & MOs

Info

ID:	18422
PubChem CID:	540767
Reduced:	NO6C20H21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	371.136887
ΔH_f, kcal/mol:	-205.85
Dipole, Da:	3.99
IP(EA), eV:	-8.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16-acetyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-15-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CC2C(=CC1OC(=O)C)C3CN2CC4=CC5=C(C=C34)OCO5

DOS

IR

Vibrations