Geometry & MOs

Info

ID:	151827
PubChem CID:	56310640
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	-67.48
Dipole, Da:	3.89
IP(EA), eV:	-8.51(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)C

DOS

IR

Vibrations