Geometry & MOs

Info

ID:	44096
PubChem CID:	10500685
Reduced:	ClO2N3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	391.155036
ΔH_f, kcal/mol:	8.97
Dipole, Da:	3.36
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-1,3,3-trimethylindol-1-ium;perchlorate

Drug info:

PubChemData

Smile

CCOC1=C(CC2=C(C(=O)N1)N(C3=CC=CC=C23)CC4=CC=C(C=C4)Cl)C#N

DOS

IR

Vibrations