Geometry & MOs

Info

ID:	152068
PubChem CID:	56310920
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	470.09535
ΔH_f, kcal/mol:	-43.54
Dipole, Da:	3.43
IP(EA), eV:	-8.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CCOC2=CC=CC(=C2)C#N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations