Geometry & MOs

Info

ID:	152402
PubChem CID:	56311321
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	470.09535
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	5.51
IP(EA), eV:	-8.48(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C2=CC=CC=C2)C(=O)N3CCCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations