Geometry & MOs

Info

ID:	217911
PubChem CID:	85088570
Reduced:	INO2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	284.165054
ΔH_f, kcal/mol:	-53.66
Dipole, Da:	4.74
IP(EA), eV:	-8.65(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-methoxy-15-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5,10-tetraen-14-one

Drug info:

PubChemData

Smile

CC12CCC3C4=C(CC[N+]3=C1CCC2=O)C=C(C=C4)OC.[I-]

DOS

IR

Vibrations