Geometry & MOs

Info

ID:	71255
PubChem CID:	48414526
Reduced:	ClN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	5.51
IP(EA), eV:	-8.9(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-3-propylbenzimidazol-2-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations