Geometry & MOs

Info

ID:	365317
PubChem CID:	127317701
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	312.206245
ΔH_f, kcal/mol:	-62.94
Dipole, Da:	3.73
IP(EA), eV:	-8.56(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-4-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)CN3CCN(CC3)C4CCC4

DOS

IR

Vibrations