Geometry & MOs

Info

ID:	31261
PubChem CID:	855390
Reduced:	ON3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	2.97
Dipole, Da:	6.29
IP(EA), eV:	-9.12(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=NN=N2)CN3CCC(CC3)C(=O)N

DOS

IR

Vibrations