Geometry & MOs

Info

ID:	170092
PubChem CID:	75196094
Reduced:	O2F3N4C15H19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	363.207253
ΔH_f, kcal/mol:	-192.76
Dipole, Da:	8.95
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)C(=O)NC3=CN=C(C=C3)OCC(F)(F)F

DOS

IR

Vibrations