Geometry & MOs

Info

ID:	153232
PubChem CID:	56312394
Reduced:	N4O5C23H32 (1)
Stoich.:	A4B5C23D32 (1)
Weight, g/mol:	457.268905
ΔH_f, kcal/mol:	-211.03
Dipole, Da:	3.05
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[5-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=C(C(NC(=O)N3)C)C(=O)OCC

DOS

IR

Vibrations