Geometry & MOs

Info

ID:	152504
PubChem CID:	56311446
Reduced:	ClO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	426.145868
ΔH_f, kcal/mol:	-78.4
Dipole, Da:	4.77
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=NC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations