Geometry & MOs

Info

ID:	71629
PubChem CID:	48415134
Reduced:	OCl2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	300.220164
ΔH_f, kcal/mol:	24.11
Dipole, Da:	3.95
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations