Geometry & MOs

Info

ID:	204671
PubChem CID:	79995849
Reduced:	ON5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	350.10454
ΔH_f, kcal/mol:	47.51
Dipole, Da:	3.95
IP(EA), eV:	-8.69(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-3-(4-fluorophenyl)propyl]adamantane

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2=NC3=C(C=CC=C3O2)N

DOS

IR

Vibrations