Geometry & MOs

Info

ID:	153177
PubChem CID:	56312329
Reduced:	O3N6C24H32 (1)
Stoich.:	A3B6C24D32 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-63.02
Dipole, Da:	5.07
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations