Geometry & MOs

Info

ID:	383024
PubChem CID:	134974514
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	284.128668
ΔH_f, kcal/mol:	-98.65
Dipole, Da:	3.65
IP(EA), eV:	-8.51(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z)-1-(13,15-dioxa-7-azoniatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3(7),10,12(16)-tetraen-2-ylidene)propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC1C2CCCN2CCC3=CC4=C(C=C13)OCO4

DOS

IR

Vibrations