Geometry & MOs

Info

ID:	7202
PubChem CID:	71514
Reduced:	NSO3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	347.155515
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	10.89
IP(EA), eV:	-9.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC[N+]1(CCC2=CC=CC=C2C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations