Geometry & MOs

Info

ID:	152604
PubChem CID:	56311575
Reduced:	N4O5C27H30 (1)
Stoich.:	A4B5C27D30 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-135.04
Dipole, Da:	5.25
IP(EA), eV:	-8.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations