Geometry & MOs

Info

ID:	391601
PubChem CID:	135006908
Reduced:	ION2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	429.158549
ΔH_f, kcal/mol:	32.66
Dipole, Da:	13.63
IP(EA), eV:	-7.52(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(1S,4R)-3-tert-butyl-2-bicyclo[2.2.1]hepta-2,5-dienyl]-phenylmethylidene]-dimethylazanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(=O)NCC[N+]1=C(/C(=C\C2=CC=CC=C2)/CC1)C3=CC=CC=C3.[I-]

DOS

IR

Vibrations