Geometry & MOs

Info

ID:	31413
PubChem CID:	855688
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	16.0
Dipole, Da:	8.35
IP(EA), eV:	-8.87(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-4-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)N3CCCCCC3)C#N

DOS

IR

Vibrations