Geometry & MOs

Info

ID:	68653
PubChem CID:	46508841
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	372.190989
ΔH_f, kcal/mol:	-15.94
Dipole, Da:	5.01
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CC(=O)NC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations