Geometry & MOs

Info

ID:	5020
PubChem CID:	12456
Reduced:	ClNO4H18C20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	371.092436
ΔH_f, kcal/mol:	-96.14
Dipole, Da:	0.9
IP(EA), eV:	-8.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride

Drug info:

PubChemData

Smile

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]

DOS

IR

Vibrations