Geometry & MOs

Info

ID:	224697
PubChem CID:	85346949
Reduced:	NO4H27C28 (1)
Stoich.:	AB4C27D28 (1)
Weight, g/mol:	442.14811
ΔH_f, kcal/mol:	-53.15
Dipole, Da:	2.1
IP(EA), eV:	-9.29(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[cyano(cyclohexyl)methoxy]-1-phenylpropan-2-yl]-trimethylazanium;iodide

Drug info:

PubChemData

Smile

CC(=O)OCC(=CC1CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations