Geometry & MOs

Info

ID:	121755
PubChem CID:	50780437
Reduced:	ClFO2N5H19C20 (1)
Stoich.:	ABC2D5E19F20 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-24.62
Dipole, Da:	6.03
IP(EA), eV:	-8.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations