Geometry & MOs

Info

ID:	31700
PubChem CID:	857815
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	332.268845
ΔH_f, kcal/mol:	27.0
Dipole, Da:	6.72
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-prop-2-enylpiperazine

Drug info:

PubChemData

Smile

CC[C@H](C1=NN=NN1CC2=CC3=C(C=C2)OCO3)N4CCN(CC4)C

DOS

IR

Vibrations