Geometry & MOs

Info

ID:	349171
PubChem CID:	127274897
Reduced:	O3N6C19H32 (1)
Stoich.:	A3B6C19D32 (1)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	-79.35
Dipole, Da:	5.39
IP(EA), eV:	-9.52(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(adamantane-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OCC(=O)N2CCN(CC2)C(=O)CN3C=NN=N3)C(C)C

DOS

IR

Vibrations