Geometry & MOs

Info

ID:	152674
PubChem CID:	56311703
Reduced:	N3O6C25H33 (1)
Stoich.:	A3B6C25D33 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-199.95
Dipole, Da:	8.41
IP(EA), eV:	-8.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2=CC(=C(C=C2OC)OC)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations