Geometry & MOs

Info

ID:	79734
PubChem CID:	49830183
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	416.258954
ΔH_f, kcal/mol:	-178.1
Dipole, Da:	3.13
IP(EA), eV:	-8.77(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-benzoyloxy-2-methyl-3,3-diphenylhexyl)-dimethylazanium

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3OC(C2=O)C

DOS

IR

Vibrations