Geometry & MOs

Info

ID:	398884
PubChem CID:	135036027
Reduced:	O3C21H22 (1)
Stoich.:	A3B21C22 (1)
Weight, g/mol:	109.06534
ΔH_f, kcal/mol:	-104.32
Dipole, Da:	3.62
IP(EA), eV:	-9.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-methylphenyl)oxidanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1C[C@H](C2=CC=CC=C2C1=O)C3=CC=CC=C3

DOS

IR

Vibrations