Geometry & MOs

Info

ID:	5962
PubChem CID:	14191
Reduced:	INO3C21H30 (1)
Stoich.:	ABC3D21E30 (1)
Weight, g/mol:	471.12704
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	11.63
IP(EA), eV:	-7.15(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylazanium;iodide

Drug info:

PubChemData

Smile

CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+](C)(C)C.[I-]

DOS

IR

Vibrations