Geometry & MOs

Info

ID:	26370
PubChem CID:	645445
Reduced:	S2N3O4C20H23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	438.214617
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	4.8
IP(EA), eV:	-9.19(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydron;chloride

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

DOS

IR

Vibrations