Geometry & MOs

Info

ID:	71216
PubChem CID:	48414466
Reduced:	FON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	32.76
Dipole, Da:	4.22
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations