Geometry & MOs

Info

ID:	31411
PubChem CID:	855686
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	342.144038
ΔH_f, kcal/mol:	17.72
Dipole, Da:	2.51
IP(EA), eV:	-8.98(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=C(C=C2C=C1)C#N)SCC(=O)N3CCCC3)C

DOS

IR

Vibrations