Geometry & MOs

Info

ID:	238677
PubChem CID:	92765048
Reduced:	N3C15H25 (1)
Stoich.:	A3B15C25 (1)
Weight, g/mol:	428.20124
ΔH_f, kcal/mol:	17.98
Dipole, Da:	1.66
IP(EA), eV:	-8.62(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C[C@@H](CNCCN1CCNCC1)C2=CC=CC=C2

DOS

IR

Vibrations