Geometry & MOs

Info

ID:	361684
PubChem CID:	127304399
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	5.46
IP(EA), eV:	-8.67(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations