Geometry & MOs

Info

ID:	136183
PubChem CID:	51993199
Reduced:	NOCl2H21C22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	400.184345
ΔH_f, kcal/mol:	9.55
Dipole, Da:	1.27
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-adamantyl-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NCC2=CC(=CC=C2)OCC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations