Geometry & MOs

Info

ID:	153071
PubChem CID:	56312197
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	437.169919
ΔH_f, kcal/mol:	-136.71
Dipole, Da:	4.8
IP(EA), eV:	-8.38(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(COC2=CC=CC=C2C)O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations