Geometry & MOs

Info

ID:	121099
PubChem CID:	50755841
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	-8.02
Dipole, Da:	1.61
IP(EA), eV:	-9.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carbonyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2=C(N=CN2)C(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations