Geometry & MOs

Info

ID:	187911
PubChem CID:	77642643
Reduced:	N4O5C25H28 (1)
Stoich.:	A4B5C25D28 (1)
Weight, g/mol:	218.061076
ΔH_f, kcal/mol:	-106.48
Dipole, Da:	4.73
IP(EA), eV:	-8.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-aza-1-azoniatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene;chloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC=NN2C3=CC=C(C=C3)N4CCN(CC4)C(=O)O)OC5CCOC5

DOS

IR

Vibrations