Geometry & MOs

Info

ID:	84324
PubChem CID:	49865770
Reduced:	BrN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	479.28006
ΔH_f, kcal/mol:	-39.87
Dipole, Da:	2.55
IP(EA), eV:	-8.33(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-phenylmethoxyethyl)-1-adamantyl]ethyl 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CN(N=N2)CC3=CC(=C(C(=C3)OC)OC)OC)Br

DOS

IR

Vibrations