Geometry & MOs

Info

ID:	129272
PubChem CID:	51072143
Reduced:	N4O5C24H34 (1)
Stoich.:	A4B5C24D34 (1)
Weight, g/mol:	400.204819
ΔH_f, kcal/mol:	-178.57
Dipole, Da:	6.86
IP(EA), eV:	-8.25(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-adamantyl)-4-benzylpiperazine;hydrate;dihydrochloride

Drug info:

PubChemData

Smile

CCCCN(CCCC)CC(=O)NC1=C2CCN(C2=NC3=CC=CC=C31)C.C(=O)(C(=O)O)O

DOS

IR

Vibrations