Geometry & MOs

Info

ID:	152586
PubChem CID:	56311556
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	473.263819
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	4.17
IP(EA), eV:	-8.47(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC=C(C=C2)OCC3=CC=CC=N3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations