Geometry & MOs

Info

ID:	49688
PubChem CID:	11533552
Reduced:	O2C17H18 (2)
Stoich.:	A2B17C18 (2)
Weight, g/mol:	508.29506
ΔH_f, kcal/mol:	-144.6
Dipole, Da:	3.36
IP(EA), eV:	-8.83(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-ethoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Drug info:

PubChemData

Smile

C1CC(=O)C(C1=O)C2=CC3=C(C=C2)C=C(C=C3)C4=CC(=C(C=C4)CC(CO)O)C56CC7CC(C5)CC(C7)C6

DOS

IR

Vibrations