Geometry & MOs

Info

ID:	191462
PubChem CID:	78148507
Reduced:	ClON2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	339.231063
ΔH_f, kcal/mol:	-60.35
Dipole, Da:	2.82
IP(EA), eV:	-8.67(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl-(3-methyl-4-pyridin-3-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CNCCN1C2=CC(=CC=C2)OC.Cl

DOS

IR

Vibrations